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Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 43601 |  UM6 CHEMBL5427280 |
8 | C18 H15 Cl F N3 O | InChI=1S/C18H15ClFN3O/c19 -12-6-7-15-16(10-12)23(14 -4-2-1-3-5-14)18(24)21-17 (15)22-9-8-13(20)11-22/h1 -7,10,13H,8-9,11H2/t13-/m 1/s1; GPTUSHRRTGGGTD-CYBMUJFWSA-N |
c1ccc(cc1)N2c3cc(ccc3C(=NC2=O)N4CCC(C4)F )Cl; c1ccc(cc1)N2c3cc(ccc3C(=NC2=O)N4CC[ C@H](C4)F)Cl; F[CH]1CCN(C1)C2=NC(=O)N(c3 ccccc3)c4cc(Cl)ccc24; F[C@@H]1CCN(C1)C2= NC(=O)N(c3ccccc3)c4cc(Cl)ccc24 |
7-chloranyl-4-[(3R)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-quinazolin-2-one |
| 43602 |  UM7 ZINC000038288957 |
0 | C6 H12 N2 O2 | InChI=1S/C6H12N2O2/c1-10- 6(9)5-3-2-4-7-8-5/h5,7-8H ,2-4H2,1H3/t5-/m0/s1; GAUFSAOOPHWSRO-YFKPBYRVSA-N |
COC(=O)[CH]1CCCNN1; COC(=O)[C@@H]1CCCNN1 ; C1NNC(CC1)C(=O)OC; COC(=O)C1CCCNN1 |
methyl (3S)-hexahydropyridazine-3-carboxylate |
| 43603 |  UM8 CHEMBL4853265 |
1 | C19 H19 N5 O | InChI=1S/C19H19N5O/c1-24- 12-18(22-23-24)17-11-14(1 9(25)21-15-7-8-15)10-16(2 0-17)9-13-5-3-2-4-6-13/h2 -6,10-12,15H,7-9H2,1H3,(H ,21,25); NUQGANYMFKALLD-UHFFFAOYSA-N |
Cn1cc(nn1)c2cc(cc(Cc3ccccc3)n2)C(=O)NC4C C4; Cn1cc(nn1)c2cc(cc(n2)Cc3ccccc3)C(=O) NC4CC4 |
2-benzyl-N-cyclopropyl-6-(1-methyl-1H-1,2,3-triazol-4-yl)isonicotinamide; ~{N}-cyclopropyl-2-(1-methyl-1,2,3-triazol-4-yl)-6-(phenylmethyl)pyridine-4-carboxamide |
| 43604 |  UM9 |
1 | C14 H25 N O7 | InChI=1S/C14H25NO7/c1-7(1 7)14(3,4)6-21-13-10(15-8( 2)18)12(20)11(19)9(5-16)2 2-13/h9-13,16,19-20H,5-6H 2,1-4H3,(H,15,18)/t9-,10- ,11-,12-,13-/m1/s1; UAKFZHMRCJMULU-SYLRKERUSA-N |
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO )O[C@H]1OCC(C)(C)C(C)=O; CC(=O)C(C)(C)CO C1C(C(C(C(O1)CO)O)O)NC(=O)C; CC(=O)C(C)( C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C O)O)O)NC(=O)C; CC(=O)N[CH]1[CH](O)[CH](O )[CH](CO)O[CH]1OCC(C)(C)C(C)=O; CC(=O)C( C)(C)COC1OC(CO)C(O)C(O)C1NC(C)=O |
2,2-dimethyl-3-oxobutyl 2-acetamido-2-deoxy-beta-D-glucopyranoside |
| 43605 |  UMA DB01673 ZINC000085545647 |
13 | C23 H36 N4 O20 P2 | InChI=1S/C23H36N4O20P2/c1 -8(21(35)36)24-19(34)9(2) 43-18-14(25-10(3)29)22(45 -11(6-28)16(18)32)46-49(4 0,41)47-48(38,39)42-7-12- 15(31)17(33)20(44-12)27-5 -4-13(30)26-23(27)37/h4-5 ,8-9,11-12,14-18,20,22,28 ,31-33H,6-7H2,1-3H3,(H,24 ,34)(H,25,29)(H,35,36)(H, 38,39)(H,40,41)(H,26,30,3 7)/t8-,9+,11+,12+,14+,15+ ,16+,17+,18+,20+,22+/m0/s 1; NTMMCWJNQNKACG-KBKUWGQMSA-N |
CC(C(=O)O)NC(=O)C(C)OC1C(C(OC(C1O)CO)OP( =O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC 3=O)O)O)NC(=O)C; C[CH](NC(=O)[CH](C)O[CH ]1[CH](O)[CH](CO)O[CH](O[P](O)(=O)O[P](O )(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(= O)NC3=O)[CH]1NC(C)=O)C(O)=O; C[C@@H](C(= O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O [C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O) (O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC (=O)NC3=O)O)O)NC(=O)C; C[C@H](NC(=O)[C@@ H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[P @](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@ H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@@H]1NC( C)=O)C(O)=O; O=P(OC1OC(C(O)C(OC(C(=O)NC( C(=O)O)C)C)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3 OC(N2C=CC(=O)NC2=O)C(O)C3O |
URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE |
| 43606 |  UMB CHEMBL4876311 |
1 | C19 H21 N3 O3 | InChI=1S/C19H21N3O3/c1-20 -19(25)17-9-13(18(24)22-1 5-10-16(23)11-15)8-14(21- 17)7-12-5-3-2-4-6-12/h2-6 ,8-9,15-16,23H,7,10-11H2, 1H3,(H,20,25)(H,22,24)/t1 5-,16-; FQRNJZDJWMGBEX-WKILWMFISA-N |
CNC(=O)c1cc(cc(Cc2ccccc2)n1)C(=O)N[C@@H] 3C[C@@H](O)C3; CNC(=O)c1cc(cc(n1)Cc2cccc c2)C(=O)NC3CC(C3)O; CNC(=O)c1cc(cc(Cc2cc ccc2)n1)C(=O)N[CH]3C[CH](O)C3 |
6-benzyl-N4-((1r,3r)-3-hydroxycyclobutyl)-N2-methylpyridine-2,4-dicarboxamide; ~{N}2-methyl-~{N}4-(3-oxidanylcyclobutyl)-6-(phenylmethyl)pyridine-2,4-dicarboxamide |
| 43607 |  UMC CHEMBL3144338 |
16 | C9 H15 N2 O8 P | InChI=1S/C9H15N2O8P/c12-5 -3-8(11-2-1-7(13)10-9(11) 14)19-6(5)4-18-20(15,16)1 7/h5-6,8,12H,1-4H2,(H,10, 13,14)(H2,15,16,17)/t5-,6 +,8+/m0/s1; WQQZADPPRABIFU-SHYZEUOFSA-N |
O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2CCC(=O )NC2=O; C1CN(C(=O)NC1=O)C2CC(C(O2)COP(=O )(O)O)O; O=P(O)(O)OCC2OC(N1C(=O)NC(=O)CC 1)CC2O; O[C@H]1C[C@@H](O[C@@H]1CO[P](O)( O)=O)N2CCC(=O)NC2=O; C1CN(C(=O)NC1=O)[C@ H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O |
2'-deoxy-5'-uridylic acid |
| 43608 |  UME |
1 | C19 H21 N5 O | InChI=1S/C19H21N5O/c1-4-2 0-19(25)15-10-16(13(2)14- 8-6-5-7-9-14)21-17(11-15) 18-12-24(3)23-22-18/h5-13 H,4H2,1-3H3,(H,20,25)/t13 -/m0/s1; LOEKXZDIARTPMM-ZDUSSCGKSA-N |
CCNC(=O)c1cc(nc(c1)c2cn(C)nn2)[CH](C)c3c cccc3; CCNC(=O)c1cc(nc(c1)c2cn(C)nn2)[C@ @H](C)c3ccccc3; CCNC(=O)c1cc(nc(c1)C(C)c 2ccccc2)c3cn(nn3)C |
N-ethyl-2-(1-methyl-1H-1,2,3-triazol-4-yl)-6-(1-phenylethyl)isonicotinamide; ~{N}-ethyl-2-(1-methyl-1,2,3-triazol-4-yl)-6-(1-phenylethyl)pyridine-4-carboxamide |
| 43609 |  UMF DB03155 ZINC000033821548 |
2 | C9 H12 F N2 O8 P | InChI=1S/C9H12FN2O8P/c10- 6-7(20-21(16,17)18)4(3-13 )19-8(6)12-2-1-5(14)11-9( 12)15/h1-2,4,6-8,13H,3H2, (H,11,14,15)(H2,16,17,18) /t4-,6-,7-,8-/m1/s1; IFIXUMAFUNKIAA-XVFCMESISA-N |
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@ H](O2)CO)OP(=O)(O)O)F; OC[CH]1O[CH]([CH] (F)[CH]1O[P](O)(O)=O)N2C=CC(=O)NC2=O; O= C1NC(=O)N(C=C1)C2OC(C(OP(=O)(O)O)C2F)CO; C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)OP(=O)(O )O)F; OC[C@H]1O[C@H]([C@H](F)[C@@H]1O[P] (O)(O)=O)N2C=CC(=O)NC2=O |
2'-FLUORO-2'-DEOXYURIDINE 3'-MONOPHOSPHATE; 1-(2-DEOXY-2-FLUORO-3-O-PHOSPHONO-BETA-L-RIBOFURANOSYL)PYRIMIDINE-2,4(1H,3H)-DIONE |
| 43610 |  UMG DB04268 ZINC000098209497 |
1 | C34 H47 N3 O18 | InChI=1S/C34H47N3O18/c1-1 2-7-22(44)50-18-8-16(5-6- 17(12)18)49-32-24(36-14(3 )42)28(47)30(20(10-39)52- 32)55-34-25(37-15(4)43)29 (48)31(21(11-40)53-34)54- 33-23(35-13(2)41)27(46)26 (45)19(9-38)51-33/h5-8,19 -21,23-34,38-40,45-48H,9- 11H2,1-4H3,(H,35,41)(H,36 ,42)(H,37,43)/t19-,20-,21 -,23-,24-,25-,26-,27-,28- ,29-,30-,31-,32+,33+,34+/ m1/s1; BNYGKUQXGBVTRE-ITRNKESMSA-N |
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO )O[C@H]1O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C @@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](NC (C)=O)[C@H](O[C@@H]3CO)Oc4ccc5C(=CC(=O)O c5c4)C; O=C5Oc4c(ccc(OC3OC(C(OC2OC(C(OC1 OC(CO)C(O)C(O)C1NC(=O)C)C(O)C2NC(=O)C)CO )C(O)C3NC(=O)C)CO)c4)C(=C5)C; CC1=CC(=O) Oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]( [C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([ C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C @H](O5)CO)O)O)NC(=O)C)O)NC(=O)C)O)NC(=O) C; CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[C H]1O[CH]2[CH](O)[CH](NC(C)=O)[CH](O[CH]2 CO)O[CH]3[CH](O)[CH](NC(C)=O)[CH](O[CH]3 CO)Oc4ccc5C(=CC(=O)Oc5c4)C; CC1=CC(=O)Oc 2c1ccc(c2)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4 )CO)OC5C(C(C(C(O5)CO)O)O)NC(=O)C)O)NC(=O )C)O)NC(=O)C |
METHYL-UMBELLIFERTL-N-ACETYL-CHITOTRIOSE; METHYLUMBELLIFERYL CHITOTRIOSE |
| 43611 |  UMH CHEMBL3228131 ZINC000032099217 |
1 | C11 H9 N O3 | InChI=1S/C11H9NO3/c1-15-9 -2-3-10-7(5-9)4-8(6-12-10 )11(13)14/h2-6H,1H3,(H,13 ,14); QSFFBQNKTUMKNW-UHFFFAOYSA-N |
COc1ccc2ncc(cc2c1)C(O)=O; COc1ccc2c(c1)c c(cn2)C(=O)O |
6-methoxyquinoline-3-carboxylic acid |
| 43612 |  UMI |
1 | C29 H31 F3 N4 O3 | InChI=1S/C29H31F3N4O3/c30 -29(31,32)23-5-3-4-20(12- 23)14-28(18-34-24-9-8-21( 17-37)27(13-24)36(38)39)1 0-11-35(19-28)16-22-15-33 -26-7-2-1-6-25(22)26/h1-9 ,12-13,15,33-34,37-39H,10 -11,14,16-19H2/t28-/m0/s1; KGLHSGWEBHLIGL-NDEPHWFRSA-N |
c1ccc2c(c1)c(c[nH]2)CN3CCC(C3)(Cc4cccc(c 4)C(F)(F)F)CNc5ccc(c(c5)N(O)O)CO; c1ccc2 c(c1)c(c[nH]2)CN3CC[C@](C3)(Cc4cccc(c4)C (F)(F)F)CNc5ccc(c(c5)N(O)O)CO; OCc1ccc(N C[C@]2(CCN(Cc3c[nH]c4ccccc34)C2)Cc5cccc( c5)C(F)(F)F)cc1N(O)O; OCc1ccc(NC[C]2(CCN (Cc3c[nH]c4ccccc34)C2)Cc5cccc(c5)C(F)(F) F)cc1N(O)O; FC(F)(F)c1cccc(c1)CC1(CCN(Cc 2c[NH]c3ccccc23)C1)CNc1ccc(CO)c(c1)N(O)O |
[2-(dihydroxyamino)-4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)phenyl]methanol |
| 43613 |  UMJ CHEMBL4748685 ZINC000000121898 |
1 | C15 H18 N2 O2 | InChI=1S/C15H18N2O2/c1-15 (2,3)13-9-12(14(18)19)17( 16-13)10-11-7-5-4-6-8-11/ h4-9H,10H2,1-3H3,(H,18,19 ); IJXYLILRNVOJNF-UHFFFAOYSA-N |
CC(C)(C)c1cc(n(n1)Cc2ccccc2)C(=O)O; CC(C )(C)c1cc(n(Cc2ccccc2)n1)C(O)=O; c2cccc(C n1c(C(O)=O)cc(n1)C(C)(C)C)c2 |
1-benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid |
| 43614 |  UMK CHEMBL1505419 ZINC000000155093 |
1 | C11 H14 Br N O | InChI=1S/C11H14BrNO/c12-1 0-3-1-9(2-4-10)11(14)5-7- 13-8-6-11/h1-4,13-14H,5-8 H2; QNLXJYQUWCNYBH-UHFFFAOYSA-N |
c1cc(ccc1C2(CCNCC2)O)Br; OC1(CCNCC1)c2cc c(Br)cc2; Brc1ccc(cc1)C2(O)CCNCC2 |
4-(4-BROMOPHENYL)PIPERIDIN-4-OL |
| 43615 |  UML CHEMBL1777829 |
2 | C34 H55 N7 O24 P2 | InChI=1S/C34H55N7O24P2/c1 -14(28(49)39-18(32(53)54) 7-8-21(44)38-17(31(51)52) 6-4-5-10-35)36-29(50)15(2 )61-27-23(37-16(3)43)33(6 3-19(12-42)25(27)47)64-67 (58,59)65-66(56,57)60-13- 20-24(46)26(48)30(62-20)4 1-11-9-22(45)40-34(41)55/ h9,11,14-15,17-20,23-27,3 0,33,42,46-48H,4-8,10,12- 13,35H2,1-3H3,(H,36,50)(H ,37,43)(H,38,44)(H,39,49) (H,51,52)(H,53,54)(H,56,5 7)(H,58,59)(H,40,45,55)/t 14-,15+,17-,18+,19+,20+,2 3+,24+,25+,26+,27+,30+,33 +/m0/s1; WXBLSQNZKMJACT-BYEZXYKXSA-N |
C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN )C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C @H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)OP (=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3 C=CC(=O)NC3=O)O)O)NC(=O)C; C[C@H](NC(=O) [C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H] (O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H]([C @H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@@H]1NC (C)=O)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C (O)=O)C(O)=O; CC(C(=O)NC(CCC(=O)NC(CCCCN )C(=O)O)C(=O)O)NC(=O)C(C)OC1C(C(OC(C1O)C O)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC( =O)NC3=O)O)O)NC(=O)C; O=C(O)C(NC(=O)CCC( C(=O)O)NC(=O)C(NC(=O)C(OC3C(O)C(OC(OP(=O )(OP(=O)(OCC2OC(N1C=CC(=O)NC1=O)C(O)C2O) O)O)C3NC(=O)C)CO)C)C)CCCCN; C[CH](NC(=O) [CH](C)O[CH]1[CH](O)[CH](CO)O[CH](O[P](O )(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH] 2O)N3C=CC(=O)NC3=O)[CH]1NC(C)=O)C(=O)N[C H](CCC(=O)N[CH](CCCCN)C(O)=O)C(O)=O |
Uridine 5'Diphospho N-acetyl muramoyl-L-Alanyl-D-Glutamyl-L-Lysine |
| 43616 |  UMM |
2 | C28 H42 N4 O7 | InChI=1S/C28H42N4O7/c1-18 (2)23(30-27(36)39-28(3,4) 5)24(33)29-22-17-19-10-8- 11-20(16-19)37-14-6-7-15- 38-26(35)21-12-9-13-32(31 -21)25(22)34/h8,10-11,16, 18,21-23,31H,6-7,9,12-15, 17H2,1-5H3,(H,29,33)(H,30 ,36)/t21-,22-,23-/m0/s1; BZQRBTRFLXZFDJ-VABKMULXSA-N |
CC(C)[C@@H](C(=O)N[C@H]1Cc2cccc(c2)OCCCC OC(=O)[C@@H]3CCCN(C1=O)N3)NC(=O)OC(C)(C) C; CC(C)[CH](NC(=O)OC(C)(C)C)C(=O)N[CH]1 Cc2cccc(OCCCCOC(=O)[CH]3CCC[N](N3)C1=O)c 2; CC(C)C(C(=O)NC1Cc2cccc(c2)OCCCCOC(=O) C3CCCN(C1=O)N3)NC(=O)OC(C)(C)C; CC(C)[C@ H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1Cc2cccc(O CCCCOC(=O)[C@@H]3CCC[N@@](N3)C1=O)c2; CC (C)(OC(NC(C(=O)NC3Cc1cccc(c1)OCCCCOC(=O) C2CCCN(N2)C3=O)C(C)C)=O)C |
tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate |
| 43617 |  UMN CHEMBL4868536 |
1 | C29 H30 Cl N5 O4 | InChI=1S/C29H30ClN5O4/c30 -24-14-31-28(32-21-8-11-3 9-12-9-21)33-26(24)19-5-6 -20-15-35(27(38)22(20)13- 19)16-25(37)34-29(17-36)1 0-7-18-3-1-2-4-23(18)29/h 1-6,13-14,21,36H,7-12,15- 17H2,(H,34,37)(H,31,32,33 )/t29-/m1/s1; ANSUETKROJEMSJ-GDLZYMKVSA-N |
c1ccc2c(c1)CCC2(CO)NC(=O)CN3Cc4ccc(cc4C3 =O)c5c(cnc(n5)NC6CCOCC6)Cl; c1ccc2c(c1)C C[C@]2(CO)NC(=O)CN3Cc4ccc(cc4C3=O)c5c(cn c(n5)NC6CCOCC6)Cl; OC[C]1(CCc2ccccc12)NC (=O)CN3Cc4ccc(cc4C3=O)c5nc(NC6CCOCC6)ncc 5Cl; OC[C@@]1(CCc2ccccc12)NC(=O)CN3Cc4cc c(cc4C3=O)c5nc(NC6CCOCC6)ncc5Cl |
2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]ethanamide |
| 43618 |  UMO |
0 | C10 H14 F N2 O9 P | InChI=1S/C10H14FN2O9P/c1- 20-10(4-21-23(17,18)19)7( 15)6(11)8(22-10)13-3-2-5( 14)12-9(13)16/h2-3,6-8,15 H,4H2,1H3,(H,12,14,16)(H2 ,17,18,19)/t6-,7+,8-,10-/ m1/s1; ZYOWQXVTIIKUDO-IBCQBUCCSA-N |
CO[C]1(CO[P](O)(O)=O)O[CH]([CH](F)[CH]1O )N2C=CC(=O)NC2=O; CO[C@]1(CO[P](O)(O)=O) O[C@H]([C@H](F)[C@@H]1O)N2C=CC(=O)NC2=O; CO[C@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O )NC2=O)F)O)COP(=O)(O)O; C2(N1C(NC(=O)C=C 1)=O)C(F)C(C(OC)(O2)COP(O)(=O)O)O; COC1( C(C(C(O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O |
2'-F-4'-OMe U; [(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-2-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
| 43619 |  UMP CHEMBL211312 DB03800 ZINC000004228260 |
975 | C9 H13 N2 O8 P | InChI=1S/C9H13N2O8P/c12-5 -3-8(11-2-1-7(13)10-9(11) 14)19-6(5)4-18-20(15,16)1 7/h1-2,5-6,8,12H,3-4H2,(H ,10,13,14)(H2,15,16,17)/t 5-,6+,8+/m0/s1; JSRLJPSBLDHEIO-SHYZEUOFSA-N |
O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O; O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(= O)NC2=O; C1[C@@H]([C@H](O[C@H]1N2C=CC(=O )NC2=O)COP(=O)(O)O)O; O[C@H]1C[C@@H](O[C @@H]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O; C1C( C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O |
2'-DEOXYURIDINE 5'-MONOPHOSPHATE; DUMP |
| 43620 |  UMQ DB02686 ZINC000058649715 |
0 | C23 H44 O11 | InChI=1S/C23H44O11/c1-2-3 -4-5-6-7-8-9-10-11-31-22- 20(30)18(28)21(15(13-25)3 3-22)34-23-19(29)17(27)16 (26)14(12-24)32-23/h14-30 H,2-13H2,1H3/t14-,15-,16- ,17+,18-,19-,20-,21-,22-, 23-/m1/s1; UYEMNFYVTFDKRG-ZNGNCRBCSA-N |
CCCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O 2)CO)O)O)O)O)O; CCCCCCCCCCCO[C@H]1[C@@H] ([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H] ([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O; O(C CCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C (O)C2O)CO; CCCCCCCCCCCO[CH]1O[CH](CO)[CH ](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[C H](O)[CH]1O; CCCCCCCCCCCO[C@@H]1O[C@H](C O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H] (O)[C@H]2O)[C@H](O)[C@H]1O |
UNDECYL-MALTOSIDE; UNDECYL-BETA-D-MALTOPYRANOSIDE |
| 43621 |  UMR |
4 | C23 H26 Cl2 N4 O2 S | InChI=1S/C23H26Cl2N4O2S/c 1-3-16-14-28(15-19-7-4-5- 10-27-19)23(30)22-9-6-8-2 1(16)29(22)32(31,26-2)20- 12-17(24)11-18(25)13-20/h 3-5,7,10-13,16,21-22H,1,6 ,8-9,14-15H2,2H3/t16-,21+ ,22-,32-/m0/s1; DQVUTGFTLVPMDO-WVGZOYKRSA-N |
CN=[S](=O)(N1[CH]2CCC[CH]1C(=O)N(C[CH]2C =C)Cc3ccccn3)c4cc(Cl)cc(Cl)c4; CN=[S@](= O)(N1[C@@H]2CCC[C@H]1C(=O)N(C[C@@H]2C=C) Cc3ccccn3)c4cc(Cl)cc(Cl)c4; CN=[S@@](=O) (c1cc(cc(c1)Cl)Cl)N2[C@@H]3CCC[C@H]2C(=O )N(C[C@@H]3C=C)Cc4ccccn4; CN=S(=O)(c1cc( cc(c1)Cl)Cl)N2C3CCCC2C(=O)N(CC3C=C)Cc4cc ccn4 |
(1S,5S,6R)-10-[S-[3,5-bis(chloranyl)phenyl]-N-methyl-sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one |
| 43622 |  UMS |
0 | C10 H15 N2 O8 P Se | InChI=1S/C10H15N2O8PSe/c1 -22-8-7(14)5(4-19-21(16,1 7)18)20-9(8)12-3-2-6(13)1 1-10(12)15/h2-3,5,7-9,14H ,4H2,1H3,(H,11,13,15)(H2, 16,17,18)/t5-,7-,8-,9-/m1 /s1; PADIGPKUSVFCBC-ZOQUXTDFSA-N |
C[Se]C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O) O)O; C[Se][C@@H]1[C@H](O)[C@@H](CO[P](O) (O)=O)O[C@H]1N2C=CC(=O)NC2=O; O=C1NC(=O) N(C=C1)C2OC(C(O)C2[Se]C)COP(=O)(O)O; C[S e][CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N 2C=CC(=O)NC2=O; C[Se][C@@H]1[C@@H]([C@H] (O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O |
2'-METHYLSELENYL-2'-DEOXYURIDINE-5'-PHOSPHATE |
| 43623 |  UMT CHEMBL5202939 |
1 | C18 H20 N4 O | InChI=1S/C18H20N4O/c1-2-4 -17-16(3-1)14(13-20-17)5- 6-15-7-8-19-18(21-15)22-9 -11-23-12-10-22/h1-4,7-8, 13,20H,5-6,9-12H2; UEMXDZGQUZIRAH-UHFFFAOYSA-N |
c1ccc2c(c1)c(c[nH]2)CCc3ccnc(n3)N4CCOCC4 ; C1CN(CCO1)c2nccc(CCc3c[nH]c4ccccc34)n2 |
4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine |
| 43624 |  UMU |
1 | C26 H32 N12 O8 | InChI=1S/C26H32N12O8/c1-2 -29-26(43)30-6-11-16(39)1 9(42)25(45-11)38-13(36-15 -21(28)32-9-34-23(15)38)4 -3-5-44-7-12-17(40)18(41) 24(46-12)37-10-35-14-20(2 7)31-8-33-22(14)37/h8-12, 16-19,24-25,39-42H,2,5-7H 2,1H3,(H2,27,31,33)(H2,28 ,32,34)(H2,29,30,43)/t11- ,12-,16-,17-,18-,19-,24-, 25-/m1/s1; PCAFKVNUJVVERU-AKONZDDMSA-N |
CCNC(=O)NCC1C(C(C(O1)n2c(nc3c2ncnc3N)C#C COCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O; CC NC(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3 c(N)ncnc23)C#CCOC[CH]4O[CH]([CH](O)[CH]4 O)n5cnc6c(N)ncnc56; CCNC(=O)NC[C@H]1O[C@ H]([C@H](O)[C@@H]1O)n2c(nc3c(N)ncnc23)C# CCOC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6 c(N)ncnc56; CCNC(=O)NC[C@@H]1[C@H]([C@H] ([C@@H](O1)n2c(nc3c2ncnc3N)C#CCOC[C@@H]4 [C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O )O)O |
1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-ethyl-urea |
| 43625 |  UMV |
2 | C27 H23 N3 O6 | InChI=1S/C27H23N3O6/c1-17 -21-13-18(16-28)7-8-20(21 )19(15-26(32)34-2)14-24(1 7)36-23-6-4-3-5-22(23)35- 12-11-30-10-9-25(31)29-27 (30)33/h3-10,13-14H,11-12 ,15H2,1-2H3,(H,29,31,33); NMVRVCAJVLRWGN-UHFFFAOYSA-N |
c3c(c(Oc2c(C)c1cc(C#N)ccc1c(c2)CC(=O)OC) ccc3)OCCN4C=CC(NC4=O)=O; Cc1c2cc(ccc2c(c c1Oc3ccccc3OCCN4C=CC(=O)NC4=O)CC(=O)OC)C #N; COC(=O)Cc1cc(Oc2ccccc2OCCN3C=CC(=O)N C3=O)c(C)c4cc(ccc14)C#N |
methyl (6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)acetate |
| 43626 |  UMW ZINC000050243960 |
0 | C8 H18 N2 O | InChI=1S/C8H18N2O/c1-8(2, 11)6-10-4-3-7(9)5-10/h7,1 1H,3-6,9H2,1-2H3/t7-/m0/s 1; VDMURYIBJNVHLD-ZETCQYMHSA-N |
CC(C)(CN1CC[C@@H](C1)N)O; CC(C)(O)CN1CC[ CH](N)C1; CC(C)(CN1CCC(C1)N)O; CC(C)(O)C N1CC[C@H](N)C1 |
1-[(3~{S})-3-azanylpyrrolidin-1-yl]-2-methyl-propan-2-ol |
| 43627 |  UMX ZINC000064436655 |
0 | C12 H17 N2 O8 P | InChI=1S/C12H17N2O8P/c1-6 -4-12(5-21-23(18,19)20)9( 16)8(6)10(22-12)14-3-2-7( 15)13-11(14)17/h2-3,6,8-1 0,16H,4-5H2,1H3,(H,13,15, 17)(H2,18,19,20)/t6-,8+,9 -,10+,12+/m0/s1; BIKPERMTZJFCSY-UNUCDPEXSA-N |
C[C@H]1C[C@]2(CO[P](O)(O)=O)O[C@H]([C@H] 1[C@@H]2O)N3C=CC(=O)NC3=O; C[CH]1C[C]2(C O[P](O)(O)=O)O[CH]([CH]1[CH]2O)N3C=CC(=O )NC3=O; CC1CC2(C(C1C(O2)N3C=CC(=O)NC3=O) O)COP(=O)(O)O; C[C@H]1C[C@]2([C@H]([C@@H ]1[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O) O; O=P(O)(O)OCC23OC(N1C(=O)NC(=O)C=C1)C( C(C2)C)C3O |
[(1R,3R,4R,5S,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate |
| 43628 |  UMY CHEMBL3967150 |
1 | C24 H18 F N3 O4 | InChI=1S/C24H18FN3O4/c1-1 5-18-12-16(14-26)6-7-17(1 8)19(25)13-22(15)32-21-5- 3-2-4-20(21)31-11-10-28-9 -8-23(29)27-24(28)30/h2-9 ,12-13H,10-11H2,1H3,(H,27 ,29,30); OIPOKGOOHCBAPR-UHFFFAOYSA-N |
Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)N C4=O)F)C#N; Cc1c(Oc2ccccc2OCCN3C=CC(=O)N C3=O)cc(F)c4ccc(cc14)C#N; c2(c1c(cc(cc1) C#N)c(C)c(c2)Oc4ccccc4OCCN3C=CC(=O)NC3=O )F |
7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-5-fluoro-8-methylnaphthalene-2-carbonitrile |
| 43629 |  UMZ CHEMBL195634 ZINC000012365460 |
1 | C14 H13 N3 | InChI=1S/C14H13N3/c1-2-4- 14-13(3-1)11(9-16-14)5-6- 12-7-8-15-10-17-12/h1-4,7 -10,16H,5-6H2; VEEXILNZSSXTHF-UHFFFAOYSA-N |
c1ccc2c(c1)c(c[nH]2)CCc3ccncn3; C(Cc1c[n H]c2ccccc12)c3ccncn3 |
3-(2-pyrimidin-4-ylethyl)-1~{H}-indole |
| 43630 |  UN1 CHEMBL88804 ZINC000001532798 |
27 | C6 H11 N O4 | InChI=1S/C6H11NO4/c7-4(6( 10)11)2-1-3-5(8)9/h4H,1-3 ,7H2,(H,8,9)(H,10,11)/t4- /m0/s1; OYIFNHCXNCRBQI-BYPYZUCNSA-N |
C(CC(C(=O)O)N)CC(=O)O; N[C@@H](CCCC(O)=O )C(O)=O; N[CH](CCCC(O)=O)C(O)=O; O=C(O)C CCC(N)C(=O)O; C(C[C@@H](C(=O)O)N)CC(=O)O |
2-AMINOHEXANEDIOIC ACID |
| 43631 |  UN2 |
0 | C4 H9 N O4 | InChI=1S/C4H9NO4/c5-2(4(8 )9)1-3(6)7/h2-3,6-7H,1,5H 2,(H,8,9)/t2-/m0/s1; NVZWSDYYWDDQAN-REOHCLBHSA-N |
C(C(C(=O)O)N)C(O)O; N[C@@H](CC(O)O)C(O)= O; O=C(O)C(N)CC(O)O; C([C@@H](C(=O)O)N)C (O)O; N[CH](CC(O)O)C(O)=O |
2-AMINO-4,4-DIHYDROXYBUTANOIC ACID |
| 43632 |  UN3 DB04800 ZINC000012504518 |
1 | C10 H11 N3 O3 S | InChI=1S/C10H11N3O3S/c1-1 3-10(12-17(14,15)16)7-9(1 1-13)8-5-3-2-4-6-8/h2-7,1 2H,1H3,(H,14,15,16); OTZLVSGSRPNRFT-UHFFFAOYSA-N |
O=S(=O)(O)Nc1cc(nn1C)c2ccccc2; Cn1c(cc(n 1)c2ccccc2)NS(=O)(=O)O; Cn1nc(cc1N[S](O) (=O)=O)c2ccccc2 |
(2-METHYL-5-PHENYL-2H-PYRAZOL-3-YL)-SULFAMIC ACID; 1-METHYL-3-PHENYL-1H-PYRAZOL-5-YLSULFAMIC ACID |
| 43633 |  UN4 CHEMBL271591 DB02898 ZINC000005955002 |
1 | C10 H12 N6 O2 | InChI=1S/C10H12N6O2/c11-1 0-15-8-7(12-4-13-8)9(16-1 0)18-3-5-1-2-6(17)14-5/h4 -5H,1-3H2,(H,14,17)(H3,11 ,12,13,15,16)/t5-/m1/s1; UYPMMHCTXQIWDX-RXMQYKEDSA-N |
c1[nH]c2c(n1)c(nc(n2)N)OCC3CCC(=O)N3; O= C1NC(CC1)COc3nc(nc2c3ncn2)N; c1[nH]c2c(n 1)c(nc(n2)N)OC[C@H]3CCC(=O)N3; Nc1nc2[nH ]cnc2c(OC[CH]3CCC(=O)N3)n1; Nc1nc2[nH]cn c2c(OC[C@H]3CCC(=O)N3)n1 |
5-{[(2-AMINO-9H-PURIN-6-YL)OXY]METHYL}-2-PYRROLIDINONE |
| 43634 |  UN5 CHEMBL204337 ZINC000014952759 |
1 | C20 H24 N4 O8 S2 | InChI=1S/C20H24N4O8S2/c1- 21-20(26)18-11-14-6-7-17( 23-34(30,31)32)10-15(14)1 2-24(18)19(25)8-5-13-3-2- 4-16(9-13)22-33(27,28)29/ h2-4,6-7,9-10,18,22-23H,5 ,8,11-12H2,1H3,(H,21,26)( H,27,28,29)(H,30,31,32)/t 18-/m0/s1; VXWOHWHCMDFHJS-SFHVURJKSA-N |
CNC(=O)[CH]1Cc2ccc(N[S](O)(=O)=O)cc2CN1C (=O)CCc3cccc(N[S](O)(=O)=O)c3; O=S(=O)(O )Nc1cccc(c1)CCC(=O)N3C(C(=O)NC)Cc2c(cc(c c2)NS(=O)(=O)O)C3; CNC(=O)C1Cc2ccc(cc2CN 1C(=O)CCc3cccc(c3)NS(=O)(=O)O)NS(=O)(=O) O; CNC(=O)[C@@H]1Cc2ccc(cc2CN1C(=O)CCc3c ccc(c3)NS(=O)(=O)O)NS(=O)(=O)O; CNC(=O)[ C@@H]1Cc2ccc(N[S](O)(=O)=O)cc2CN1C(=O)CC c3cccc(N[S](O)(=O)=O)c3 |
{3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO-PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-7-YL}-SULFAMIC ACID |
| 43635 |  UN6 CHEMBL206655 ZINC000014952768 |
1 | C16 H19 N3 O7 S2 | InChI=1S/C16H19N3O7S2/c20 -16(8-7-12-3-1-5-14(9-12) 18-27(21,22)23)17-11-13-4 -2-6-15(10-13)19-28(24,25 )26/h1-6,9-10,18-19H,7-8, 11H2,(H,17,20)(H,21,22,23 )(H,24,25,26); UWGCDTODPMLETQ-UHFFFAOYSA-N |
O[S](=O)(=O)Nc1cccc(CCC(=O)NCc2cccc(N[S] (O)(=O)=O)c2)c1; O=S(=O)(O)Nc1cc(ccc1)CN C(=O)CCc2cccc(NS(=O)(=O)O)c2; c1cc(cc(c1 )NS(=O)(=O)O)CCC(=O)NCc2cccc(c2)NS(=O)(= O)O |
(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-METHYL}-PHENYL)-SULFAMIC ACID |
| 43636 |  UN7 CHEMBL205997 ZINC000014952763 |
1 | C21 H23 N3 O7 S | InChI=1S/C21H23N3O7S/c1-2 2-20(26)18-11-14-6-7-17(2 3-32(29,30)31)10-16(14)12 -24(18)19(25)8-5-13-3-2-4 -15(9-13)21(27)28/h2-4,6- 7,9-10,18,23H,5,8,11-12H2 ,1H3,(H,22,26)(H,27,28)(H ,29,30,31)/t18-/m0/s1; AQIMGTQPGXDDPP-SFHVURJKSA-N |
CNC(=O)[CH]1Cc2ccc(N[S](O)(=O)=O)cc2CN1C (=O)CCc3cccc(c3)C(O)=O; CNC(=O)C1Cc2ccc( cc2CN1C(=O)CCc3cccc(c3)C(=O)O)NS(=O)(=O) O; O=C(O)c1cc(ccc1)CCC(=O)N3C(C(=O)NC)Cc 2c(cc(cc2)NS(=O)(=O)O)C3; CNC(=O)[C@@H]1 Cc2ccc(N[S](O)(=O)=O)cc2CN1C(=O)CCc3cccc (c3)C(O)=O; CNC(=O)[C@@H]1Cc2ccc(cc2CN1C (=O)CCc3cccc(c3)C(=O)O)NS(=O)(=O)O |
3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-3-OXO-PROPYL]-BENZOIC ACID |
| 43637 |  UN8 CHEMBL245018 ZINC000016052078 |
1 | C27 H28 F N7 O4 S | InChI=1S/C27H28FN7O4S/c1- 3-4-13-34-25-24(26(36)35( 27(34)37)15-19-7-5-6-8-21 (19)28)30-22(31-25)14-18- 9-11-20(12-10-18)32-40(38 ,39)23-16-33(2)17-29-23/h 5-12,16-17,32H,3-4,13-15H 2,1-2H3,(H,30,31); OWJCXBGUTOMZTE-UHFFFAOYSA-N |
O=S(=O)(c1ncn(c1)C)Nc2ccc(cc2)Cc4nc3N(C( =O)N(C(=O)c3n4)Cc5ccccc5F)CCCC; CCCCN1c2 c([nH]c(n2)Cc3ccc(cc3)NS(=O)(=O)c4cn(cn4 )C)C(=O)N(C1=O)Cc5ccccc5F; CCCCN1C(=O)N( Cc2ccccc2F)C(=O)c3[nH]c(Cc4ccc(N[S](=O)( =O)c5cn(C)cn5)cc4)nc13 |
N-(4-{[3-BUTYL-1-(2-FLUOROBENZYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]METHYL}PHENYL)-1-METHYL-1H-IMIDAZOLE-4-SULFONAMIDE |
| 43638 |  UN9 CHEMBL426560 DB08687 ZINC000000007670 |
21 | C12 H9 Cl N2 O4 | InChI=1S/C12H9ClN2O4/c13- 11-7-4-2-1-3-6(7)10(18)9( 15-11)12(19)14-5-8(16)17/ h1-4,18H,5H2,(H,14,19)(H, 16,17); OUQVKRKGTAUJQA-UHFFFAOYSA-N |
OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O; c1ccc2 c(c1)c(c(nc2Cl)C(=O)NCC(=O)O)O; O=C(O)CN C(=O)c1nc(Cl)c2c(c1O)cccc2 |
N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE |
| 43639 |  UNA CHEMBL1236576 DB04093 ZINC000001595727 |
4 | C11 H22 O | InChI=1S/C11H22O/c1-2-3-4 -5-6-7-8-9-10-11-12/h11H, 2-10H2,1H3; KMPQYAYAQWNLME-UHFFFAOYSA-N |
O=CCCCCCCCCCC; CCCCCCCCCCC=O | UNDECANAL |
| 43640 |  UNB CHEMBL1196664 ZINC000016051814 |
1 | C27 H26 N4 O4 S | InChI=1S/C27H26N4O4S/c1-1 7-9-14-23(31-36(34,35)24- 8-4-6-19-5-2-3-7-21(19)24 )26(33)22(17)15-25(32)30- 16-18-10-12-20(13-11-18)2 7(28)29/h2-14,31,33H,15-1 6H2,1H3,(H3,28,29)(H,30,3 2); KWJVADNYZMUTJY-UHFFFAOYSA-N |
O=S(=O)(Nc1ccc(c(c1O)CC(=O)NCc2ccc(C(=[N @H])N)cc2)C)c4c3ccccc3ccc4; [H]N=C(c1ccc (cc1)CNC(=O)Cc2c(ccc(c2O)NS(=O)(=O)c3ccc c4c3cccc4)C)N; [H]/N=C(\c1ccc(cc1)CNC(=O )Cc2c(ccc(c2O)NS(=O)(=O)c3cccc4c3cccc4)C )/N; Cc1ccc(N[S](=O)(=O)c2cccc3ccccc23)c (O)c1CC(=O)NCc4ccc(cc4)C(N)=N |
N-(4-CARBAMIMIDOYL-BENZYL)-2-[2-HYDROXY-6-METHYL-3-(NAPHTHALENE-1-SULFONYLAMINO)-PHENYL]-ACETAMIDE |
| 43641 |  UNC DB03099 ZINC000006452765 |
9 | C4 H4 N4 O4 | InChI=1S/C4H4N4O4/c5-1-2( 8(11)12)6-4(10)7-3(1)9/h5 H2,(H2,6,7,9,10); CLOSWQFGCBFNCK-UHFFFAOYSA-N |
O=[N+]([O-])C1=C(C(=O)NC(=O)N1)N; C1(=C( NC(=O)NC1=O)[N+](=O)[O-])N; NC1=C(NC(=O) NC1=O)[N+]([O-])=O |
5-AMINO-6-NITROPYRIMIDINE-2,4(1H,3H)-DIONE; 5-AMINO 6-NITRO URACIL |
| 43642 |  UND CHEMBL132474 ZINC000001693211 |
0 | C11 H24 | InChI=1S/C11H24/c1-3-5-7- 9-11-10-8-6-4-2/h3-11H2,1 -2H3; RSJKGSCJYJTIGS-UHFFFAOYSA-N |
CCCCCCCCCCC; C(CCCCCCCC)CC | UNDECANE; LIPID FRAGMENT |
| 43643 |  UNE CHEMBL1738915 ZINC000002532865 |
1 | C10 H7 Br O4 | InChI=1S/C10H7BrO4/c1-14- 7-4-6(11)2-5-3-8(10(12)13 )15-9(5)7/h2-4H,1H3,(H,12 ,13); OEICZFFUNDGUEF-UHFFFAOYSA-N |
COc1cc(Br)cc2cc(oc12)C(O)=O; COc1cc(cc2c 1oc(c2)C(=O)O)Br; O=C(O)c2oc1c(OC)cc(Br) cc1c2 |
5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid |
| 43644 |  UNH ZINC000028522994 |
1 | C35 H54 N6 O8 | InChI=1S/C35H54N6O8/c1-6- 13-25(30(43)34(47)37-19-2 7(42)40-28(31(36)44)23-14 -9-7-10-15-23)38-32(45)26 (18-21(2)3)39-33(46)29(24 -16-11-8-12-17-24)41-35(4 8)49-20-22(4)5/h7,9-10,14 -15,21-22,24-26,28-29H,6, 8,11-13,16-20H2,1-5H3,(H2 ,36,44)(H,37,47)(H,38,45) (H,39,46)(H,40,42)(H,41,4 8)/t25-,26-,28-,29-/m0/s1; CSOCTFLGSKTNFD-DZXSPZCNSA-N |
CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H] (NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O )N[C@H](C(N)=O)c2ccccc2; CCC[C@@H](C(=O) C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)N)NC(= O)[C@H](CC(C)C)NC(=O)[C@H](C2CCCCC2)NC(= O)OCC(C)C; O=C(N)C(c1ccccc1)NC(=O)CNC(=O )C(=O)C(NC(=O)C(NC(=O)C(NC(=O)OCC(C)C)C2 CCCCC2)CC(C)C)CCC; CCCC(C(=O)C(=O)NCC(=O )NC(c1ccccc1)C(=O)N)NC(=O)C(CC(C)C)NC(=O )C(C2CCCCC2)NC(=O)OCC(C)C; CCC[CH](NC(=O )[CH](CC(C)C)NC(=O)[CH](NC(=O)OCC(C)C)C1 CCCCC1)C(=O)C(=O)NCC(=O)N[CH](C(N)=O)c2c cccc2 |
({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER |
| 43645 |  UNI ZINC000003873405 |
2 | C28 H28 N2 O5 S | InChI=1S/C28H28N2O5S/c29- 17-18-10-14-22(15-11-18)3 6(33,34)30-21-7-5-6-20(16 -21)25(19-12-13-19)26-27( 31)23-8-3-1-2-4-9-24(23)3 5-28(26)32/h5-7,10-11,14- 16,19,25,30-31H,1-4,8-9,1 2-13H2/t25-/m0/s1; VCYQENLVFRTJIC-VWLOTQADSA-N |
c1cc(cc(c1)NS(=O)(=O)c2ccc(cc2)C#N)[C@H] (C3CC3)C4=C(C5=C(CCCCCC5)OC4=O)O; OC1=C( [CH](C2CC2)c3cccc(N[S](=O)(=O)c4ccc(cc4) C#N)c3)C(=O)OC5=C1CCCCCC5; OC1=C([C@@H]( C2CC2)c3cccc(N[S](=O)(=O)c4ccc(cc4)C#N)c 3)C(=O)OC5=C1CCCCCC5; N#Cc1ccc(cc1)S(=O) (=O)Nc2cccc(c2)C(C3=C(O)C4=C(OC3=O)CCCCC C4)C5CC5; c1cc(cc(c1)NS(=O)(=O)c2ccc(cc2 )C#N)C(C3CC3)C4=C(C5=C(CCCCCC5)OC4=O)O |
4-CYANO-N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-2-OXO-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYL BENZENSULFONAMIDE |
| 43646 |  UNJ CHEMBL1738916 ZINC000000151407 |
1 | C9 H5 Br O3 | InChI=1S/C9H5BrO3/c10-6-1 -2-7-5(3-6)4-8(13-7)9(11) 12/h1-4H,(H,11,12); QKUWZCOVKRUXKX-UHFFFAOYSA-N |
c1cc2c(cc1Br)cc(o2)C(=O)O; O=C(O)c2oc1cc c(Br)cc1c2; OC(=O)c1oc2ccc(Br)cc2c1 |
5-bromo-1-benzofuran-2-carboxylic acid |
| 43647 |  UNK CHEMBL1230782 ZINC000000901351 |
62 | C4 H9 N O2 | InChI=1S/C4H9NO2/c1-2-3(5 )4(6)7/h3H,2,5H2,1H3,(H,6 ,7)/t3-/m0/s1; QWCKQJZIFLGMSD-VKHMYHEASA-N |
CCC(C(=O)O)N; CC[C@@H](C(=O)O)N; CC[C@H] (N)C(O)=O; CC[CH](N)C(O)=O; O=C(O)C(N)CC |
UNKNOWN |
| 43648 |  UNL |
0 | ? | ; |
Unknown ligand | |
| 43649 |  UNM CHEMBL1782530 ZINC000101419217 |
1 | C15 H17 Br N2 O3 | InChI=1S/C15H17BrN2O3/c16 -9-5-8-6-13(15(19)20)21-1 4(8)12(7-9)18-11-3-1-10(1 7)2-4-11/h5-7,10-11,18H,1 -4,17H2,(H,19,20)/t10-,11 +; BLBAWGODFTZAEY-PHIMTYICSA-N |
c1c2cc(oc2c(cc1Br)NC3CCC(CC3)N)C(=O)O; O =C(O)c2oc1c(cc(Br)cc1c2)NC3CCC(N)CC3; N[ CH]1CC[CH](CC1)Nc2cc(Br)cc3cc(oc23)C(O)= O; N[C@@H]1CC[C@@H](CC1)Nc2cc(Br)cc3cc(o c23)C(O)=O |
7-[(cis-4-aminocyclohexyl)amino]-5-bromo-1-benzofuran-2-carboxylic acid |
| 43650 |  UNN CHEMBL42632 DB03678 ZINC000012503826 |
3 | C23 H19 F2 N3 | InChI=1S/C23H19F2N3/c1-15 (22(16-8-4-2-5-9-16)17-10 -6-3-7-11-17)28-23-18-12- 19(24)20(25)13-21(18)26-1 4-27-23/h2-15,22H,1H3,(H, 26,27,28)/t15-/m0/s1; WVGZKPGUHOZIJQ-HNNXBMFYSA-N |
CC(C(c1ccccc1)c2ccccc2)Nc3c4cc(c(cc4ncn3 )F)F; Fc4cc1c(ncnc1NC(C)C(c2ccccc2)c3ccc cc3)cc4F; C[C@H](Nc1ncnc2cc(F)c(F)cc12)C (c3ccccc3)c4ccccc4; C[C@@H](C(c1ccccc1)c 2ccccc2)Nc3c4cc(c(cc4ncn3)F)F; C[CH](Nc1 ncnc2cc(F)c(F)cc12)C(c3ccccc3)c4ccccc4 |
(6,7-DIFLUORO-QUINAZOLIN-4-YL)-(1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE |
| 43651 |  UNP ZINC000098209498 |
6 | C9 H16 N3 O14 P3 | InChI=1S/C9H16N3O14P3/c13 -5-1-2-12(9(16)10-5)8-7(1 5)6(14)4(25-8)3-24-29(22, 23)26-28(20,21)11-27(17,1 8)19/h1-2,4,6-8,14-15H,3H 2,(H,22,23)(H,10,13,16)(H 4,11,17,18,19,20,21)/t4-, 6-,7-,8-/m1/s1; MCBVWUSULWKVON-XVFCMESISA-N |
O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P] (O)(=O)N[P](O)(O)=O)N2C=CC(=O)NC2=O; O[C @H]1[C@@H](O)[C@@H](O[C@@H]1CO[P@](O)(=O )O[P@](O)(=O)N[P](O)(O)=O)N2C=CC(=O)NC2= O; C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O )OP(=O)(NP(=O)(O)O)O)O)O; C1=CN(C(=O)NC1 =O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@]( =O)(O)O[P@](=O)(NP(=O)(O)O)O)O)O; O=P(O) (O)NP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O )C=C1)C(O)C2O |
5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]uridine |
| 43652 |  UNQ CHEMBL1782513 ZINC000101419191 |
1 | C19 H20 N4 O3 | InChI=1S/C19H20N4O3/c20-1 3-2-4-14(5-3-13)22-18-10- 21-9-15(23-18)11-1-6-16-1 2(7-11)8-17(26-16)19(24)2 5/h1,6-10,13-14H,2-5,20H2 ,(H,22,23)(H,24,25)/t13-, 14-; SEAHTYRLTWEUCM-HDJSIYSDSA-N |
N[CH]1CC[CH](CC1)Nc2cncc(n2)c3ccc4oc(cc4 c3)C(O)=O; N[C@H]1CC[C@@H](CC1)Nc2cncc(n 2)c3ccc4oc(cc4c3)C(O)=O; c1cc2c(cc1c3cnc c(n3)NC4CCC(CC4)N)cc(o2)C(=O)O; O=C(O)c2 oc1ccc(cc1c2)c4nc(NC3CCC(N)CC3)cnc4 |
5-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}-1-benzofuran-2-carboxylic acid |
| 43653 |  UNR CHEMBL99553 ZINC000001887267 |
1 | C8 H14 N O7 P2 | InChI=1S/C8H13NO7P2/c1-9- 4-2-3-7(6-9)5-8(10,17(11, 12)13)18(14,15)16/h2-4,6, 10H,5H2,1H3,(H3-,11,12,13 ,14,15,16)/p+1; BBNRLGQPSIXFHZ-UHFFFAOYSA-O |
O=P(O)(O)C(O)(P(=O)(O)O)Cc1ccc[n+](c1)C; C[n+]1cccc(c1)CC(O)(P(=O)(O)O)P(=O)(O)O ; C[n+]1cccc(CC(O)([P](O)(O)=O)[P](O)(O) =O)c1 |
3-(2-hydroxy-2,2-diphosphonoethyl)-1-methylpyridinium |
| 43654 |  UNS CHEMBL3955409 |
1 | C25 H20 F N3 O4 | InChI=1S/C25H20FN3O4/c1-1 5-11-22(16(2)20-12-17(14- 27)3-5-19(15)20)33-21-6-4 -18(26)13-23(21)32-10-9-2 9-8-7-24(30)28-25(29)31/h 3-8,11-13H,9-10H2,1-2H3,( H,28,30,31); JOZUOHBWIKONKE-UHFFFAOYSA-N |
Cc1cc(c(c2c1ccc(c2)C#N)C)Oc3ccc(cc3OCCN4 C=CC(=O)NC4=O)F; Cc1cc(Oc2ccc(F)cc2OCCN3 C=CC(=O)NC3=O)c(C)c4cc(ccc14)C#N; c2(c1c (cc(cc1)C#N)c(C)c(c2)Oc4ccc(cc4OCCN3C=CC (=O)NC3=O)F)C |
7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5,8-dimethylnaphthalene-2-carbonitrile |
| 43655 |  UNT CHEMBL594034 ZINC000013974182 |
2 | C24 H24 N4 O3 | InChI=1S/C24H24N4O3/c1-17 -21(27-23(31-17)20-7-3-2- 4-8-20)9-5-6-18-10-12-19( 13-11-18)16-22(24(29)30)2 8-25-14-15-26-28/h2-4,7-8 ,10-15,22H,5-6,9,16H2,1H3 ,(H,29,30)/t22-/m0/s1; MBNINRCJDJMURD-QFIPXVFZSA-N |
Cc1oc(nc1CCCc2ccc(C[C@H](n3nccn3)C(O)=O) cc2)c4ccccc4; Cc1c(nc(o1)c2ccccc2)CCCc3c cc(cc3)CC(C(=O)O)n4nccn4; Cc1c(nc(o1)c2c cccc2)CCCc3ccc(cc3)C[C@@H](C(=O)O)n4nccn 4; Cc1oc(nc1CCCc2ccc(C[CH](n3nccn3)C(O)= O)cc2)c4ccccc4; O=C(O)C(n1nccn1)Cc2ccc(c c2)CCCc3nc(oc3C)c4ccccc4 |
(2S)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(2H-1,2,3-triazol-2-yl)propanoic acid |
| 43656 |  UNU CHEMBL267373 ZINC000000152996 |
14 | C7 H7 N O | InChI=1S/C7H7NO/c8-7(9)6- 4-2-1-3-5-6/h1-5H,(H2,8,9 ); KXDAEFPNCMNJSK-UHFFFAOYSA-N |
c1ccc(cc1)C(=O)N; O=C(N)c1ccccc1; NC(=O) c1ccccc1 |
BENZAMIDE |
| 43657 |  UNV CHEMBL317313 ZINC000026733744 |
1 | C8 H11 N O6 P2 | InChI=1S/C8H11NO6P2/c10-1 6(11,12)8(17(13,14)15)4-6 -2-1-3-9-7(6)5-8/h1-3H,4- 5H2,(H2,10,11,12)(H2,13,1 4,15); BKUBDCZNHKIXPI-UHFFFAOYSA-N |
c1cc2c(nc1)CC(C2)(P(=O)(O)O)P(=O)(O)O; O [P](O)(=O)C1(Cc2cccnc2C1)[P](O)(O)=O; O= P(O)(O)C2(Cc1cccnc1C2)P(=O)(O)O |
6,7-dihydro-5H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid) |
| 43658 |  UNW CHEMBL4847468 |
1 | C29 H30 Cl N5 O3 | InChI=1S/C29H30ClN5O3/c30 -25-15-31-29(32-23-9-12-3 8-13-10-23)33-27(25)20-7- 8-22-17-35(28(37)24(22)14 -20)18-26(36)34-11-3-6-19 -4-1-2-5-21(19)16-34/h1-2 ,4-5,7-8,14-15,23H,3,6,9- 13,16-18H2,(H,31,32,33); IGCMZDAOWJBAOH-UHFFFAOYSA-N |
c1ccc2c(c1)CCCN(C2)C(=O)CN3Cc4ccc(cc4C3= O)c5c(cnc(n5)NC6CCOCC6)Cl; Clc1cnc(NC2CC OCC2)nc1c3ccc4CN(CC(=O)N5CCCc6ccccc6C5)C (=O)c4c3 |
6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]-3~{H}-isoindol-1-one; ASTX029 |
| 43659 |  UNX |
0 | X | ; |
* | UNKNOWN ATOM OR ION |
| 43660 |  UNY CHEMBL4548211 |
1 | C21 H23 F N2 O6 S | InChI=1S/C21H23FN2O6S/c1- 21(20(26)23-27,31(3,28)29 )8-9-24-12-14-10-13(4-6-1 7(14)19(24)25)16-7-5-15(3 0-2)11-18(16)22/h4-7,10-1 1,27H,8-9,12H2,1-3H3,(H,2 3,26)/t21-/m1/s1; BYDRVBMZUCDIRW-OAQYLSRUSA-N |
C[C@@](CCN1Cc2cc(ccc2C1=O)c3ccc(cc3F)OC) (C(=O)NO)S(=O)(=O)C; CC(CCN1Cc2cc(ccc2C1 =O)c3ccc(cc3F)OC)(C(=O)NO)S(=O)(=O)C; CO c1ccc(c(F)c1)c2ccc3C(=O)N(CC[C](C)(C(=O) NO)[S](C)(=O)=O)Cc3c2; COc1ccc(c(F)c1)c2 ccc3C(=O)N(CC[C@](C)(C(=O)NO)[S](C)(=O)= O)Cc3c2 |
(2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide |
| 43661 |  UNZ |
1 | C21 H23 F N2 O6 S | InChI=1S/C21H23FN2O6S/c1- 21(20(26)23-27,31(3,28)29 )8-9-24-12-14-10-13(4-6-1 7(14)19(24)25)16-7-5-15(3 0-2)11-18(16)22/h4-7,10-1 1,27H,8-9,12H2,1-3H3,(H,2 3,26)/t21-/m0/s1; BYDRVBMZUCDIRW-NRFANRHFSA-N |
CC(CCN1Cc2cc(ccc2C1=O)c3ccc(cc3F)OC)(C(= O)NO)S(=O)(=O)C; COc1ccc(c(F)c1)c2ccc3C( =O)N(CC[C@@](C)(C(=O)NO)[S](C)(=O)=O)Cc3 c2; COc1ccc(c(F)c1)c2ccc3C(=O)N(CC[C](C) (C(=O)NO)[S](C)(=O)=O)Cc3c2; C[C@](CCN1C c2cc(ccc2C1=O)c3ccc(cc3F)OC)(C(=O)NO)S(= O)(=O)C |
(2~{S})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide |
| 43662 |  UO1 CHEMBL3810055 ZINC000263620811 |
2 | C19 H18 N2 O3 | InChI=1S/C19H18N2O3/c1-12 -8-9-15(24)10-18(12)21(14 (3)23)19-11-20(13(2)22)17 -7-5-4-6-16(17)19/h4-11,2 4H,1-3H3; NXETYAFZIDRMKK-UHFFFAOYSA-N |
CC(=O)n1cc(N(C(C)=O)c2cc(O)ccc2C)c3ccccc 13; CC(=O)n1c3c(c(c1)N(c2cc(ccc2C)O)C(C) =O)cccc3; Cc1ccc(cc1N(c2cn(c3c2cccc3)C(= O)C)C(=O)C)O |
N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide |
| 43663 |  UO2 |
4 | C18 H21 N5 O3 S | InChI=1S/C18H21N5O3S/c1-1 1(19)18(24)20-13-7-8-16-1 5(10-13)17(22-21-16)12-5- 4-6-14(9-12)27(25,26)23(2 )3/h4-11H,19H2,1-3H3,(H,2 0,24)(H,21,22)/t11-/m0/s1; HKVYLIVZRUYPKC-NSHDSACASA-N |
C[C@H](N)C(=O)Nc1ccc2n[nH]c(c3cccc(c3)[S ](=O)(=O)N(C)C)c2c1; C[CH](N)C(=O)Nc1ccc 2n[nH]c(c3cccc(c3)[S](=O)(=O)N(C)C)c2c1; CC(C(=O)Nc1ccc2c(c1)c([nH]n2)c3cccc(c3) S(=O)(=O)N(C)C)N; C[C@@H](C(=O)Nc1ccc2c( c1)c([nH]n2)c3cccc(c3)S(=O)(=O)N(C)C)N |
(2~{S})-2-azanyl-~{N}-[3-[3-(dimethylsulfamoyl)phenyl]-2~{H}-indazol-5-yl]propanamide |
| 43664 |  UO3 |
1 | C15 H21 N4 O S2 | InChI=1S/C15H21N4OS2/c1-2 -3-4-5-9-22-13-17-14(20)1 9(15(21)18-13)11-12-7-6-8 -16-10-12/h6-8,10H,2-5,9, 11H2,1H3,(H2,17,18,20,21); AAGCVGJIZNRQQT-UHFFFAOYSA-N |
CCCCCCSC1=NC(=[N](C(=N1)S)Cc2cccnc2)O; C CCCCCSc1nc(O)[n](Cc2cccnc2)c(S)n1 |
4-hexylsulfanyl-1-(pyridin-3-ylmethyl)-6-sulfanyl-1$l^{4},3,5-triazacyclohexa-1,3,5-trien-2-ol |
| 43665 |  UO4 CHEMBL3985848 |
1 | C28 H25 N3 O4 | InChI=1S/C28H25N3O4/c1-18 -23-15-20(17-29)8-9-22(23 )21(14-19-6-7-19)16-26(18 )35-25-5-3-2-4-24(25)34-1 3-12-31-11-10-27(32)30-28 (31)33/h2-5,8-11,15-16,19 H,6-7,12-14H2,1H3,(H,30,3 2,33); VAFJQCGXOLTBQY-UHFFFAOYSA-N |
Cc1c(Oc2ccccc2OCCN3C=CC(=O)NC3=O)cc(CC4C C4)c5ccc(cc15)C#N; Cc1c2cc(ccc2c(cc1Oc3c cccc3OCCN4C=CC(=O)NC4=O)CC5CC5)C#N; c1c( c(ccc1)Oc3c(C)c2cc(C#N)ccc2c(c3)CC4CC4)O CCN5C=CC(NC5=O)=O |
5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile |
| 43666 |  UO5 CHEMBL4850133 |
1 | C29 H30 Cl N5 O3 | InChI=1S/C29H30ClN5O3/c30 -25-16-31-29(32-23-9-13-3 8-14-10-23)33-27(25)21-5- 6-22-17-35(28(37)24(22)15 -21)18-26(36)34-11-7-19-3 -1-2-4-20(19)8-12-34/h1-6 ,15-16,23H,7-14,17-18H2,( H,31,32,33); CDIPSADLEIZARJ-UHFFFAOYSA-N |
c1ccc2c(c1)CCN(CC2)C(=O)CN3Cc4ccc(cc4C3= O)c5c(cnc(n5)NC6CCOCC6)Cl; Clc1cnc(NC2CC OCC2)nc1c3ccc4CN(CC(=O)N5CCc6ccccc6CC5)C (=O)c4c3 |
6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]-3~{H}-isoindol-1-one |
| 43667 |  UO6 CHEMBL69234 ZINC000100001914 |
3 | C14 H14 N3 O12 P S2 | InChI=1S/C14H14N3O12PS2/c 1-7-13(19)9(5-18)10(6-29- 30(20,21)22)14(15-7)17-16 -11-3-2-8(31(23,24)25)4-1 2(11)32(26,27)28/h2-5,19H ,6H2,1H3,(H2,20,21,22)(H, 23,24,25)(H,26,27,28)/b17 -16+; PNFZSRRRZNXSMF-WUKNDPDISA-N |
Cc1nc(N=Nc2ccc(cc2[S](O)(=O)=O)[S](O)(=O )=O)c(CO[P](O)(O)=O)c(C=O)c1O; Cc1c(c(c( c(n1)N=Nc2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)C OP(=O)(O)O)C=O)O; Cc1c(c(c(c(n1)/N=N/c2c cc(cc2S(=O)(=O)O)S(=O)(=O)O)COP(=O)(O)O) C=O)O |
4-[(E)-[4-methanoyl-6-methyl-5-oxidanyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-disulfonic acid; Ppads |
| 43668 |  UO7 CHEMBL4167017 |
1 | C28 H35 N5 O5 | InChI=1S/C28H35N5O5/c1-16 (2)25-26(35)30-17(3)27(36 )33-12-6-8-23(32-33)28(37 )38-18(4)19-10-11-20-15-2 9-22(14-21(20)13-19)7-5-9 -24(34)31-25/h5,7,10-11,1 3-18,23,25,32H,6,8-9,12H2 ,1-4H3,(H,30,35)(H,31,34) /b7-5+/t17-,18+,23-,25-/m 0/s1; MGYHGMOTCTUOQS-NGJNAYBBSA-N |
CC(C)[CH]1NC(=O)CC=Cc2cc3cc(ccc3cn2)[CH] (C)OC(=O)[CH]4CCC[N](N4)C(=O)[CH](C)NC1= O; CC1c2ccc3cnc(cc3c2)C=CCC(=O)NC(C(=O)N C(C(=O)N4CCCC(N4)C(=O)O1)C)C(C)C; CC(C)[ C@@H]1NC(=O)C\C=C\c2cc3cc(ccc3cn2)[C@@H] (C)OC(=O)[C@@H]4CCC[N@@](N4)C(=O)[C@H](C )NC1=O; C(C)(C)C1C(=O)NC(C(=O)N4CCCC(C(= O)OC(c3cc2cc(C=CCC(N1)=O)ncc2cc3)C)N4)C; C[C@@H]1c2ccc3cnc(cc3c2)/C=C/CC(=O)N[C@ H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O 1)C)C(C)C |
(2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone |
| 43669 |  UO8 CHEMBL1736694 ZINC000017314824 |
2 | C11 H15 N5 S | InChI=1S/C11H15N5S/c12-11 -14-9-8(10(17)15-11)13-6- 16(9)7-4-2-1-3-5-7/h6-7H, 1-5H2,(H3,12,14,15,17); PKVXHQDYPCXSAD-UHFFFAOYSA-N |
NC1=NC(=S)c2ncn(C3CCCCC3)c2N1; c1nc2c(n1 C3CCCCC3)NC(=NC2=S)N |
2-azanyl-9-cyclohexyl-3~{H}-purine-6-thione |
| 43670 |  UO9 |
4 | C24 H37 N3 O9 S2 | InChI=1S/C24H37N3O9S2/c1- 15(2)12-18(27-23(31)36-14 -24(3,4)37(32)17-8-6-5-7- 9-17)21(29)26-19(22(30)38 (33,34)35)13-16-10-11-25- 20(16)28/h5-9,15-16,18-19 ,22,30H,10-14H2,1-4H3,(H, 25,28)(H,26,29)(H,27,31)( H,33,34,35)/t16-,18-,19-, 22+,37-/m0/s1; SNFBJKJTJOFDKW-NRANLDPGSA-N |
CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1= O)[C@H](O)S(=O)(=O)O)NC(=O)OCC(C)(C)S(=O )c2ccccc2; CC(C)C[CH](NC(=O)OCC(C)(C)[S] (=O)c1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)[C H](O)[S](O)(=O)=O; CC(C)CC(C(=O)NC(CC1CC NC1=O)C(O)S(=O)(=O)O)NC(=O)OCC(C)(C)S(=O )c2ccccc2; CC(C)C[C@H](NC(=O)OCC(C)(C)[S @@](=O)c1ccccc1)C(=O)N[C@@H](C[C@@H]2CCN C2=O)[C@H](O)[S](O)(=O)=O; CC(C)CC(NC(=O )OCC(C)(C)S(=O)c1ccccc1)C(=O)NC(CC1CCNC1 =O)C(O)S(=O)(=O)O |
(2~{S})-2-[[(2~{S})-4-methyl-2-[[2-methyl-2-[oxidanyl(phenyl)-$l^{3}-sulfanyl]propoxy]carbonylamino]pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid |
| 43671 |  UOA |
0 | C11 H17 N2 O10 P | InChI=1S/C11H17N2O10P/c1- 20-7-8(15)11(21-2,5-22-24 (17,18)19)23-9(7)13-4-3-6 (14)12-10(13)16/h3-4,7-9, 15H,5H2,1-2H3,(H,12,14,16 )(H2,17,18,19)/t7-,8+,9-, 11-/m1/s1; PQPFDVLUCHRYPP-PKIKSRDPSA-N |
CO[C@@H]1[C@@H]([C@](O[C@H]1N2C=CC(=O)NC 2=O)(COP(=O)(O)O)OC)O; COC1C(OC(C1O)(OC) COP(O)(=O)O)N2C(NC(=O)C=C2)=O; CO[C@@H]1 [C@H](O)[C@](CO[P](O)(O)=O)(OC)O[C@H]1N2 C=CC(=O)NC2=O; COC1C(C(OC1N2C=CC(=O)NC2= O)(COP(=O)(O)O)OC)O; CO[CH]1[CH](O)[C](C O[P](O)(O)=O)(OC)O[CH]1N2C=CC(=O)NC2=O |
[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxy-2,4-dimethoxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name) |
| 43672 |  UOB |
0 | C11 H17 N2 O10 P | InChI=1S/C11H17N2O10P/c1- 20-7-8(15)11(21-2,5-22-24 (17,18)19)23-9(7)13-4-3-6 (14)12-10(13)16/h3-4,7-9, 15H,5H2,1-2H3,(H,12,14,16 )(H2,17,18,19)/t7-,8+,9-, 11+/m1/s1; PQPFDVLUCHRYPP-LOKLDPHHSA-N |
CO[C@@H]1[C@H](O)[C@@](CO[P](O)(O)=O)(OC )O[C@H]1N2C=CC(=O)NC2=O; C1(OC(C(C1OC)O) (COP(O)(=O)O)OC)N2C(NC(C=C2)=O)=O; COC1C (C(OC1N2C=CC(=O)NC2=O)(COP(=O)(O)O)OC)O; CO[C@@H]1[C@@H]([C@@](O[C@H]1N2C=CC(=O) NC2=O)(COP(=O)(O)O)OC)O; CO[CH]1[CH](O)[ C](CO[P](O)(O)=O)(OC)O[CH]1N2C=CC(=O)NC2 =O |
2'-OMe,4'beta-OMe uridine 5'-(dihydrogen phosphate) |
| 43673 |  UOC CHEMBL1236582 DB08688 ZINC000001529305 |
8 | C11 H22 O | InChI=1S/C11H22O/c1-3-4-5 -6-7-8-9-10-11(2)12/h3-10 H2,1-2H3; KYWIYKKSMDLRDC-UHFFFAOYSA-N |
O=C(CCCCCCCCC)C; CCCCCCCCCC(=O)C; CCCCCC CCCC(C)=O |
undecan-2-one |
| 43674 |  UOD CHEMBL4168950 |
1 | C30 H39 N5 O5 | InChI=1S/C30H39N5O5/c1-17 (2)25-26(36)31-18(3)27(37 )35-15-7-8-23(34-35)28(38 )40-19(4)22-12-11-21-10-9 -20(16-24(21)32-22)13-14- 30(5,6)29(39)33-25/h9-14, 16-19,23,25,34H,7-8,15H2, 1-6H3,(H,31,36)(H,33,39)/ b14-13+/t18-,19+,23-,25-/ m0/s1; XCZDYKRNHKYRTQ-HQHUNAKVSA-N |
CC(C)[CH]1NC(=O)C(C)(C)C=Cc2ccc3ccc(nc3c 2)[CH](C)OC(=O)[CH]4CCC[N](N4)C(=O)[CH]( C)NC1=O; CC(C)[C@@H]1NC(=O)C(C)(C)\C=C\c 2ccc3ccc(nc3c2)[C@@H](C)OC(=O)[C@@H]4CCC [N@@](N4)C(=O)[C@H](C)NC1=O; C[C@@H]1c2c cc3ccc(cc3n2)/C=C/C(C(=O)N[C@H](C(=O)N[C @H](C(=O)N4CCC[C@H](N4)C(=O)O1)C)C(C)C)( C)C; c1cc2nc4c1ccc(C=CC(C(=O)NC(C(NC(C(N 3CCCC(C(OC2C)=O)N3)=O)C)=O)C(C)C)(C)C)c4 ; CC1c2ccc3ccc(cc3n2)C=CC(C(=O)NC(C(=O)N C(C(=O)N4CCCC(N4)C(=O)O1)C)C(C)C)(C)C |
(2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone |
| 43675 |  UOE CHEMBL4856124 |
1 | C32 H39 Cl N8 O4 | InChI=1S/C32H39ClN8O4/c1- 20(30(43)37-27(19-42)26-4 -3-5-28(36-26)40-12-10-39 (2)11-13-40)41-18-22-7-6- 21(16-24(22)31(41)44)29-2 5(33)17-34-32(38-29)35-23 -8-14-45-15-9-23/h3-7,16- 17,20,23,27,42H,8-15,18-1 9H2,1-2H3,(H,37,43)(H,34, 35,38)/t20-,27-/m1/s1; FOWKCJGRLFZWNL-NFQMXDRXSA-N |
CC(C(=O)NC(CO)c1cccc(n1)N2CCN(CC2)C)N3Cc 4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl; C[ CH](N1Cc2ccc(cc2C1=O)c3nc(NC4CCOCC4)ncc3 Cl)C(=O)N[CH](CO)c5cccc(n5)N6CCN(C)CC6; C[C@H](C(=O)N[C@H](CO)c1cccc(n1)N2CCN(CC 2)C)N3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC 6)Cl; C[C@@H](N1Cc2ccc(cc2C1=O)c3nc(NC4C COCC4)ncc3Cl)C(=O)N[C@H](CO)c5cccc(n5)N6 CCN(C)CC6 |
(2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-2-oxidanyl-ethyl]propanamide |
| 43676 |  UOF CHEMBL5927960 |
2 | C18 H16 Cl2 N2 O3 | InChI=1S/C18H16Cl2N2O3/c1 9-12-9-13(20)16(11-5-2-1- 3-6-11)14(10-12)21-18(25) 22-8-4-7-15(22)17(23)24/h 1-3,5-6,9-10,15H,4,7-8H2, (H,21,25)(H,23,24)/t15-/m 1/s1; WDPIFBOVEHBEDQ-OAHLLOKOSA-N |
c1ccc(cc1)c2c(cc(cc2Cl)Cl)NC(=O)N3CCC[C@ @H]3C(=O)O; OC(=O)C1CCCN1C(=O)Nc1cc(Cl)c c(Cl)c1c1ccccc1; OC(=O)[C@H]1CCCN1C(=O)N c2cc(Cl)cc(Cl)c2c3ccccc3; c1ccc(cc1)c2c( cc(cc2Cl)Cl)NC(=O)N3CCCC3C(=O)O; OC(=O)[ CH]1CCCN1C(=O)Nc2cc(Cl)cc(Cl)c2c3ccccc3 |
1-[(4,6-dichloro[1,1'-biphenyl]-2-yl)carbamoyl]-D-proline |
| 43677 |  UOG CHEMBL4173004 |
1 | C30 H39 N5 O5 | InChI=1S/C30H39N5O5/c1-17 (2)25-27(37)32-19(4)28(38 )35-15-7-8-23(34-35)26(36 )31-18(3)22-12-11-21-10-9 -20(16-24(21)33-22)13-14- 30(5,6)29(39)40-25/h9-14, 16-19,23,25,34H,7-8,15H2, 1-6H3,(H,31,36)(H,32,37)/ b14-13+/t18-,19+,23+,25+/ m1/s1; YVBYTKCYPFMUBG-FFZLYJDLSA-N |
C1(NC(C)c4ccc3c(cc(C=CC(C(=O)OC(C(NC(C(N 2CCCC1N2)=O)C)=O)C(C)C)(C)C)cc3)n4)=O; C C1c2ccc3ccc(cc3n2)C=CC(C(=O)OC(C(=O)NC(C (=O)N4CCCC(N4)C(=O)N1)C)C(C)C)(C)C; CC(C )[CH]1OC(=O)C(C)(C)C=Cc2ccc3ccc(nc3c2)[C H](C)NC(=O)[CH]4CCC[N](N4)C(=O)[CH](C)NC 1=O; C[C@@H]1c2ccc3ccc(cc3n2)/C=C/C(C(=O )O[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C (=O)N1)C)C(C)C)(C)C; CC(C)[C@@H]1OC(=O)C (C)(C)\C=C\c2ccc3ccc(nc3c2)[C@@H](C)NC(= O)[C@@H]4CCC[N@@](N4)C(=O)[C@H](C)NC1=O |
(2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone |
| 43678 |  UOH CHEMBL4869800 |
1 | C27 H26 Cl F N8 O4 | InChI=1S/C27H26ClFN8O4/c1 -14(25(39)32-22(13-38)17- 6-18(29)9-19(7-17)41-3)37 -12-16-5-4-15(8-20(16)26( 37)40)24-21(28)10-30-27(3 4-24)33-23-11-31-36(2)35- 23/h4-11,14,22,38H,12-13H 2,1-3H3,(H,32,39)(H,30,33 ,34,35)/t14-,22-/m1/s1; VXELOHCKXQHQRO-JLCFBVMHSA-N |
COc1cc(F)cc(c1)[CH](CO)NC(=O)[CH](C)N2Cc 3ccc(cc3C2=O)c4nc(Nc5cnn(C)n5)ncc4Cl; CC (C(=O)NC(CO)c1cc(cc(c1)F)OC)N2Cc3ccc(cc3 C2=O)c4c(cnc(n4)Nc5cnn(n5)C)Cl; C[C@H](C (=O)N[C@H](CO)c1cc(cc(c1)F)OC)N2Cc3ccc(c c3C2=O)c4c(cnc(n4)Nc5cnn(n5)C)Cl; COc1cc (F)cc(c1)[C@@H](CO)NC(=O)[C@@H](C)N2Cc3c cc(cc3C2=O)c4nc(Nc5cnn(C)n5)ncc4Cl |
(2~{R})-2-[5-[5-chloranyl-2-[(2-methyl-1,2,3-triazol-4-yl)amino]pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide |
| 43679 |  UOI ZINC000028576465 |
1 | C10 H9 N3 O2 | InChI=1S/C10H9N3O2/c1-7-6 -9(15-13-7)10(14)12-8-2-4 -11-5-3-8/h2-6H,1H3,(H,11 ,12,14); HPNYMQLDUOKPSU-UHFFFAOYSA-N |
Cc1cc(on1)C(=O)Nc2ccncc2; Cc2cc(C(Nc1ccn cc1)=O)on2 |
3-methyl-N-(pyridin-4-yl)-1,2-oxazole-5-carboxamide |
| 43680 |  UOJ |
1 | C31 H39 N5 O5 | InChI=1S/C31H39N5O5/c1-18 -23-13-12-21-11-10-20(17- 25(21)34-23)14-15-31(3,4) 30(40)41-26(22-7-5-8-22)2 8(38)33-19(2)29(39)36-16- 6-9-24(35-36)27(37)32-18/ h10-15,17-19,22,24,26,35H ,5-9,16H2,1-4H3,(H,32,37) (H,33,38)/b15-14+/t18-,19 +,24+,26+/m1/s1; KKULOCXHXDLVMI-GUQAJDTPSA-N |
C[C@@H]1NC(=O)[C@@H](OC(=O)C(C)(C)\C=C\c 2ccc3ccc(nc3c2)[C@@H](C)NC(=O)[C@@H]4CCC [N@](N4)C1=O)C5CCC5; C5(C1C(NC(C(N4CCCC( C(NC(c3ccc2c(cc(C=CC(C(=O)O1)(C)C)cc2)n3 )C)=O)N4)=O)C)=O)CCC5; CC1c2ccc3ccc(cc3n 2)C=CC(C(=O)OC(C(=O)NC(C(=O)N4CCCC(N4)C( =O)N1)C)C5CCC5)(C)C; C[C@@H]1c2ccc3ccc(c c3n2)/C=C/C(C(=O)O[C@H](C(=O)N[C@H](C(=O )N4CCC[C@H](N4)C(=O)N1)C)C5CCC5)(C)C; C[ CH]1NC(=O)[CH](OC(=O)C(C)(C)C=Cc2ccc3ccc (nc3c2)[CH](C)NC(=O)[CH]4CCC[N](N4)C1=O) C5CCC5 |
(2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone |
| 43681 |  UOK CHEMBL2377609 ZINC000002389515 |
1 | C11 H10 N2 O | InChI=1S/C11H10N2O/c1-14- 9-2-3-11-10(6-9)8(4-5-12) 7-13-11/h2-3,6-7,13H,4H2, 1H3; ZBQCXEREMRGOCO-UHFFFAOYSA-N |
COc1ccc2c(c1)c(c[nH]2)CC#N; COc1ccc2[nH] cc(CC#N)c2c1 |
2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile |
| 43682 |  UOL |
1 | C27 H35 N13 O7 | InChI=1S/C27H35N13O7/c1-3 -30-27(45)31-7-12-17(41)2 0(44)26(46-12)40-14(37-16 -22(29)33-10-35-24(16)40) 5-4-6-38(2)8-13-18(42)19( 43)25(47-13)39-11-36-15-2 1(28)32-9-34-23(15)39/h9- 13,17-20,25-26,41-44H,3,6 -8H2,1-2H3,(H2,28,32,34)( H2,29,33,35)(H2,30,31,45) /t12-,13-,17-,18-,19-,20- ,25-,26-/m1/s1; SKRVTLNQCVUAMA-DQSURDJZSA-N |
CCNC(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n 2c(nc3c2ncnc3N)C#CCN(C)C[C@@H]4[C@H]([C@ H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O; CCN C(=O)NCC1C(C(C(O1)n2c(nc3c2ncnc3N)C#CCN( C)CC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O; CC NC(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2 c(nc3c(N)ncnc23)C#CCN(C)C[C@H]4O[C@H]([C @H](O)[C@@H]4O)n5cnc6c(N)ncnc56; CCNC(=O )NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)n cnc23)C#CCN(C)C[CH]4O[CH]([CH](O)[CH]4O) n5cnc6c(N)ncnc56 |
1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-ethyl-urea |
| 43683 |  UOM CHEMBL5078248 |
1 | C21 H24 N4 O | InChI=1S/C21H24N4O/c1-16( 2)19-6-3-17(4-7-19)13-21( 26)25-11-9-24(10-12-25)20 -8-5-18(14-22)15-23-20/h3 -8,15-16H,9-13H2,1-2H3; KJRSRHAWEMYUSP-UHFFFAOYSA-N |
CC(C)c1ccc(CC(=O)N2CCN(CC2)c3ccc(cn3)C#N )cc1; CC(C)c1ccc(cc1)CC(=O)N3CCN(c2ccc(c n2)C#N)CC3; CC(C)c1ccc(cc1)CC(=O)N2CCN(C C2)c3ccc(cn3)C#N |
6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridine-3-carbonitrile |
| 43684 |  UON |
1 | C15 H11 Cl N2 O2 | InChI=1S/C15H11ClN2O2/c1- 20-12-6-7-14-13(8-12)17-1 5(16)18(14)11-4-2-10(9-19 )3-5-11/h2-9H,1H3; RGYSXOYXQMSTHS-UHFFFAOYSA-N |
COc1ccc2c(c1)nc(n2c3ccc(cc3)C=O)Cl; COc1 ccc2n(c(Cl)nc2c1)c3ccc(C=O)cc3 |
4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde |
| 43685 |  UOO |
8 | C15 H24 Br N5 O14 P2 | InChI=1S/C15H24BrN5O14P2/ c16-15-20-7-11(17)18-4-19 -12(7)21(15)13(26)8(23)5( 22)1-2-32-36(28,29)35-37( 30,31)33-3-6-9(24)10(25)1 4(27)34-6/h4-6,8-10,13-14 ,22-27H,1-3H2,(H,28,29)(H ,30,31)(H2,17,18,19)/t5-, 6+,8-,9-,10+,13-,14-/m1/s 1; YLKLFNYZVXTMJI-XDPXHJCRSA-N |
c1nc(c2c(n1)n(c(n2)Br)[C@@H]([C@@H]([C@@ H](CCOP(=O)(O)OP(=O)(O)OC[C@H]3[C@H]([C@ @H]([C@@H](O3)O)O)O)O)O)O)N; OC1C(COP(=O )(O)OP(=O)(O)OCCC(O)C(O)C(O)n2c3ncnc(N)c 3nc2Br)OC(O)C1O; c1nc(c2c(n1)n(c(n2)Br)C (C(C(CCOP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)O) O)O)O)O)O)N; Nc1ncnc2n([C@H](O)[C@H](O)[ C@H](O)CCO[P](O)(=O)O[P](O)(=O)OC[C@@H]3 O[C@@H](O)[C@@H](O)[C@@H]3O)c(Br)nc12; N c1ncnc2n([CH](O)[CH](O)[CH](O)CCO[P](O)( =O)O[P](O)(=O)OC[CH]3O[CH](O)[CH](O)[CH] 3O)c(Br)nc12 |
(3R,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4,5-trihydroxypentyl [(2S,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
| 43686 |  UOP |
1 | C19 H20 N6 O | InChI=1S/C19H20N6O/c1-14( 2)15-3-5-16(6-4-15)21-19( 26)25-11-9-24(10-12-25)18 -8-7-17(13-20)22-23-18/h3 -9,11,14H,10,12H2,1-2H3,( H,21,26); UFOIVYYYFHTAEA-UHFFFAOYSA-N |
CC(C)c1ccc(cc1)NC(=O)N3C=CN(c2ccc(nn2)C# N)CC3; CC(C)c1ccc(NC(=O)N2CCN(C=C2)c3ccc (nn3)C#N)cc1; CC(C)c1ccc(cc1)NC(=O)N2CCN (C=C2)c3ccc(nn3)C#N |
4-(6-cyanopyridazin-3-yl)-N-[4-(propan-2-yl)phenyl]-3,4-dihydropyrazine-1(2H)-carboxamide |
| 43687 |  UOQ ZINC000263620631 |
34 | C32 H56 N7 O17 P3 S | InChI=1S/C32H56N7O17P3S/c 1-4-5-6-7-8-9-10-11-21(40 )17-60-15-14-34-23(41)12- 13-35-30(44)27(43)32(2,3) 18-53-59(50,51)56-58(48,4 9)52-16-22-26(55-57(45,46 )47)25(42)31(54-22)39-20- 38-24-28(33)36-19-37-29(2 4)39/h19-20,22,25-27,31,4 2-43H,4-18H2,1-3H3,(H,34, 41)(H,35,44)(H,48,49)(H,5 0,51)(H2,33,36,37)(H2,45, 46,47)/t22-,25+,26+,27+,3 1+/m1/s1; JYQFMIDTWJSOBJ-BDQXTIGLSA-N |
CCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C (C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H ]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N) O)OP(=O)(O)O)O; CCCCCCCCCC(=O)CSCCNC(=O) CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1 C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; CCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[CH](O)C (C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH ]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncn c23; O=C(CCCCCCCCC)CSCCNC(=O)CCNC(=O)C(O )C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1 c(ncnc12)N)C(O)C3OP(=O)(O)O; CCCCCCCCCC( =O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P ](O)(=O)O[P](O)(=O)OC[C@H]1O[C@@H]([C@@H ](O)[C@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23 |
undeca-2-one coenzyme A |
| 43688 |  UOR CHEMBL405828 ZINC000000253709 |
1 | C11 H8 Cl N O2 | InChI=1S/C11H8ClNO2/c12-1 0-4-3-8(7-9(10)11(14)15)1 3-5-1-2-6-13/h1-7H,(H,14, 15); HPAOLHCBQKYITR-UHFFFAOYSA-N |
c1ccn(c1)c2ccc(c(c2)C(=O)O)Cl; OC(=O)c1c c(ccc1Cl)n2cccc2; O=C(O)c1cc(ccc1Cl)n1cc cc1 |
2-chloro-5-(1H-pyrrol-1-yl)benzoic acid |
| 43689 |  UOS CHEMBL5094733 |
1 | C19 H23 Cl N4 O | InChI=1S/C19H23ClN4O/c1-1 4(2)16-5-3-15(4-6-16)11-1 9(25)24-9-7-23(8-10-24)18 -13-21-17(20)12-22-18/h3- 6,12-14H,7-11H2,1-2H3; ZABUHCOUTMKPGC-UHFFFAOYSA-N |
c1(cnc(cn1)N3CCN(C(Cc2ccc(cc2)C(C)C)=O)C C3)Cl; CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3 cnc(cn3)Cl; CC(C)c1ccc(CC(=O)N2CCN(CC2)c 3cnc(Cl)cn3)cc1 |
1-[4-(5-chloropyrazin-2-yl)piperazin-1-yl]-2-[4-(propan-2-yl)phenyl]ethan-1-one |
| 43690 |  UOT |
1 | C15 H11 Cl N2 O2 | InChI=1S/C15H11ClN2O2/c1- 20-12-6-7-13-14(8-12)18(1 5(16)17-13)11-4-2-10(9-19 )3-5-11/h2-9H,1H3; RILHAONIURTARS-UHFFFAOYSA-N |
COc1ccc2c(c1)n(c(n2)Cl)c3ccc(cc3)C=O; CO c1ccc2nc(Cl)n(c3ccc(C=O)cc3)c2c1 |
4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde |
| 43691 |  UOU |
1 | C22 H22 Cl N O2 | InChI=1S/C22H22ClNO2/c1-2 4-14-17-8-12-21(13-9-17)2 5-16-19-4-2-3-5-22(19)26- 15-18-6-10-20(23)11-7-18/ h2-13,24H,14-16H2,1H3; FBMMJKKOOVCCQD-UHFFFAOYSA-N |
CNCc1ccc(cc1)OCc2ccccc2OCc3ccc(cc3)Cl; C NCc1ccc(OCc2ccccc2OCc3ccc(Cl)cc3)cc1 |
1-[4-[[2-[(4-chlorophenyl)methoxy]phenyl]methoxy]phenyl]-N-methyl-methanamine |
| 43692 |  UOV ZINC000097681845 |
9 | C21 H24 N2 O2 | InChI=1S/C21H24N2O2/c1-16 -2-4-17(5-3-16)18-6-8-19( 9-7-18)22-20(24)23-13-10- 21(11-14-23)12-15-25-21/h 2-9H,10-15H2,1H3,(H,22,24 ); WYXWIBFERBQYBG-UHFFFAOYSA-N |
Cc1ccc(cc1)c2ccc(NC(=O)N3CCC4(CCO4)CC3)c c2; C1N(CCC2(C1)CCO2)C(=O)Nc4ccc(c3ccc(C )cc3)cc4; Cc1ccc(cc1)c2ccc(cc2)NC(=O)N3C CC4(CC3)CCO4 |
N-(4'-methyl[1,1'-biphenyl]-4-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide |
| 43693 |  UOW CHEMBL4866448 |
1 | C28 H31 Cl N6 O5 | InChI=1S/C28H31ClN6O5/c1- 16(26(37)33-23(15-36)17-5 -8-30-24(12-17)39-2)35-14 -19-4-3-18(11-21(19)27(35 )38)25-22(29)13-31-28(34- 25)32-20-6-9-40-10-7-20/h 3-5,8,11-13,16,20,23,36H, 6-7,9-10,14-15H2,1-2H3,(H ,33,37)(H,31,32,34)/t16-, 23-/m1/s1; ZLOVQLWPDDOBBX-WAIKUNEKSA-N |
C[C@H](C(=O)N[C@H](CO)c1ccnc(c1)OC)N2Cc3 ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl; COc 1cc(ccn1)[C@@H](CO)NC(=O)[C@@H](C)N2Cc3c cc(cc3C2=O)c4nc(NC5CCOCC5)ncc4Cl; CC(C(= O)NC(CO)c1ccnc(c1)OC)N2Cc3ccc(cc3C2=O)c4 c(cnc(n4)NC5CCOCC5)Cl; COc1cc(ccn1)[CH]( CO)NC(=O)[CH](C)N2Cc3ccc(cc3C2=O)c4nc(NC 5CCOCC5)ncc4Cl |
(2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(2-methoxypyridin-4-yl)-2-oxidanyl-ethyl]propanamide |
| 43694 |  UOX |
0 | C3 H6 N O3 Se | InChI=1S/C3H6NO3Se/c4-2(1 -8-7)3(5)6/h2H,1,4H2,(H,5 ,6)/q-1/t2-/m0/s1; IYJUXUMKLGMZHJ-REOHCLBHSA-N |
O=C(O)C(N)C[SeH]=O; C(C(C(=O)O)N)[Se-]=O ; C([C@@H](C(=O)O)N)[Se-]=O; N[C@@H](C[S e-]=O)C(O)=O; N[CH](C[Se-]=O)C(O)=O |
3-(oxido-lambda~4~-selanyl)-L-alanine |
| 43695 |  UOY CHEMBL4751985 |
1 | C19 H22 N2 O4 | InChI=1S/C19H22N2O4/c1-19 (2,3)11-15(18(23)24)21-17 (22)13-9-10-16(20-12-13)2 5-14-7-5-4-6-8-14/h4-10,1 2,15H,11H2,1-3H3,(H,21,22 )(H,23,24)/t15-/m0/s1; DASSWHWKVPKLEB-HNNXBMFYSA-N |
CC(C)(C)CC(C(=O)O)NC(=O)c1ccc(nc1)Oc2ccc cc2; CC(C)(C)C[C@@H](C(=O)O)NC(=O)c1ccc( nc1)Oc2ccccc2; C(=O)(c1cnc(cc1)Oc2ccccc2 )NC(C(=O)O)CC(C)(C)C; CC(C)(C)C[CH](NC(= O)c1ccc(Oc2ccccc2)nc1)C(O)=O; CC(C)(C)C[ C@H](NC(=O)c1ccc(Oc2ccccc2)nc1)C(O)=O |
4-methyl-N-(6-phenoxypyridine-3-carbonyl)-L-leucine |
| 43696 |  UOZ |
8 | C21 H27 N5 O13 P2 | InChI=1S/C21H27N5O13P2/c2 2-18-15-20(24-9-23-18)26( 19(25-15)10-4-2-1-3-5-10) 14-6-11(27)12(37-14)7-35- 40(31,32)39-41(33,34)36-8 -13-16(28)17(29)21(30)38- 13/h1-5,9,11-14,16-17,21, 27-30H,6-8H2,(H,31,32)(H, 33,34)(H2,22,23,24)/t11-, 12+,13+,14+,16+,17-,21+/m 0/s1; HDAKJMFIHMDGRC-SXAIUVOJSA-N |
Nc1ncnc2n([CH]3C[CH](O)[CH](CO[P](O)(=O) O[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O) O3)c(nc12)c5ccccc5; c1ccc(cc1)c2nc3c(ncn c3n2[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)OP( =O)(O)OC[C@@H]5[C@H]([C@@H]([C@@H](O5)O) O)O)O)N; c1ccc(cc1)c2nc3c(ncnc3n2C4CC(C( O4)COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)O)O)O )O)N; Nc1ncnc2n([C@H]3C[C@H](O)[C@@H](CO [P](O)(=O)O[P](O)(=O)OC[C@H]4O[C@@H](O)[ C@@H](O)[C@@H]4O)O3)c(nc12)c5ccccc5; OC1 C(COP(=O)(O)OP(=O)(O)OCC2OC(CC2O)n2c3ncn c(N)c3nc2c2ccccc2)OC(O)C1O |
[(2R,3S,5R)-5-(6-amino-8-phenyl-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
| 43697 |  UP0 |
1 | C16 H22 O7 | InChI=1S/C16H22O7/c1-3-5- 9-13(16(22)23)10(15(20)21 )6-8(4-2)11(17)7-12(18)14 (9)19/h4,9,11,14,17,19H,3 ,5-7H2,1-2H3,(H,20,21)(H, 22,23)/b8-4-,13-10-/t9-,1 1+,14+/m1/s1; YFQGJJCDYCWLSI-KRKAZGBPSA-N |
CCC[C@H]/1[C@H](O)C(=O)C[C@H](O)\C(CC(=C /1C(O)=O)/C(O)=O)=C/C; CCCC1C(C(=O)CC(C( =CC)CC(=C1C(=O)O)C(=O)O)O)O; CCC[C@H]/1[ C@@H](C(=O)C[C@@H](/C(=C\C)/C/C(=C1/C(=O )O)/C(=O)O)O)O; CCC[CH]1[CH](O)C(=O)C[CH ](O)C(CC(=C1C(O)=O)C(O)=O)=CC |
(1~{Z},3~{R},4~{S},7~{S},8~{Z})-8-ethylidene-4,7-bis(oxidanyl)-5-oxidanylidene-3-propyl-cyclononene-1,2-dicarboxylic acid |
| 43698 |  UP1 ZINC000098209499 |
0 | C15 H23 F N2 O16 P2 | InChI=1S/C15H23FN2O16P2/c 16-8-11(23)9(21)5(3-19)32 -14(8)33-36(28,29)34-35(2 6,27)30-4-6-10(22)12(24)1 3(31-6)18-2-1-7(20)17-15( 18)25/h1-2,5-6,8-14,19,21 -24H,3-4H2,(H,26,27)(H,28 ,29)(H,17,20,25)/t5-,6-,8 +,9+,10+,11+,12-,13-,14-/ m1/s1; NGTCPFGWXMBZEP-ASADWNOXSA-N |
OC[C@H]1O[C@H](O[P@](O)(=O)O[P@](O)(=O)O C[C@H]2O[C@H]([C@H](O)[C@H]2O)N3C=CC(=O) NC3=O)[C@@H](F)[C@H](O)[C@H]1O; O=P(OC1O C(C(O)C(O)C1F)CO)(O)OP(=O)(O)OCC3OC(N2C= CC(=O)NC2=O)C(O)C3O; C1=CN(C(=O)NC1=O)C2 C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O 3)CO)O)O)F)O)O; C1=CN(C(=O)NC1=O)[C@H]2[ C@@H]([C@H](C(O2)CO[P@](=O)(O)O[P@](=O)( O)O[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)CO )O)O)F)O)O; OC[CH]1O[CH](O[P](O)(=O)O[P] (O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC (=O)NC3=O)[CH](F)[CH](O)[CH]1O |
URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUOROGALACTOSE |
| 43699 |  UP2 ZINC000085545850 |
1 | C40 H44 N4 O16 | InChI=1S/C40H44N4O16/c45- 33(46)5-1-17-21(9-37(53)5 4)29-14-27-19(3-7-35(49)5 0)22(10-38(55)56)30(43-27 )15-28-20(4-8-36(51)52)24 (12-40(59)60)32(44-28)16- 31-23(11-39(57)58)18(2-6- 34(47)48)26(42-31)13-25(1 7)41-29/h41-44H,1-16H2,(H ,45,46)(H,47,48)(H,49,50) (H,51,52)(H,53,54)(H,55,5 6)(H,57,58)(H,59,60); HUHWZXWWOFSFKF-UHFFFAOYSA-N |
OC(=O)CCc1c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(C c([nH]2)c1CC(O)=O)c(CCC(O)=O)c5CC(O)=O)c (CCC(O)=O)c4CC(O)=O)c(CC(O)=O)c3CCC(O)=O ; O=C(O)Cc1c(c5nc1Cc2nc(c(c2CCC(=O)O)CC( =O)O)Cc3c(c(c(n3)Cc4c(c(c(n4)C5)CC(=O)O) CCC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O; C1c2 c(c(c([nH]2)Cc3c(c(c([nH]3)Cc4c(c(c([nH] 4)Cc5c(c(c1[nH]5)CCC(=O)O)CC(=O)O)CC(=O) O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC( =O)O |
UROPORPHYRINOGEN III |
| 43700 |  UP3 |
3 | C40 H38 N4 O16 | InChI=1S/C40H38N4O16/c45- 33(46)5-1-17-21(9-37(53)5 4)29-14-27-19(3-7-35(49)5 0)22(10-38(55)56)30(43-27 )15-28-20(4-8-36(51)52)24 (12-40(59)60)32(44-28)16- 31-23(11-39(57)58)18(2-6- 34(47)48)26(42-31)13-25(1 7)41-29/h13-16,41,44H,1-1 2H2,(H,45,46)(H,47,48)(H, 49,50)(H,51,52)(H,53,54)( H,55,56)(H,57,58)(H,59,60 )/b25-13?,26-13-,27-14-,2 8-15?,29-14-,30-15-,31-16 -,32-16-; VZVFNUAIRVUCEW-XFMUOGEMSA-N |
c1c2c(c(c([nH]2)cc3nc(cc4c(c(c([nH]4)cc5 nc1C(=C5CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O) O)C(=C3CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O ; O=C(O)CC1=C(c3nc1cc5nc(cc2nc(C(=C2CC(= O)O)CCC(=O)O)cc4c(c(c(c3)n4)CC(=O)O)CCC( =O)O)c(c5CCC(=O)O)CC(=O)O)CCC(=O)O; OC(= O)CCc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c( CCC(O)=O)c5CC(O)=O)c(CC(O)=O)c4CCC(O)=O) c(CC(O)=O)c3CCC(O)=O)c1CC(O)=O |
3,3',3'',3'''-[3,8,13,17-tetrakis(carboxymethyl)porphyrin-2,7,12,18-tetrayl]tetrapropanoic acid |
| 43701 |  UP4 CHEMBL4741088 |
1 | C15 H19 Cl2 N O3 | InChI=1S/C15H19Cl2NO3/c1- 15(2,3)5-4-12(14(20)21)18 -13(19)9-6-10(16)8-11(17) 7-9/h6-8,12H,4-5H2,1-3H3, (H,18,19)(H,20,21)/t12-/m 0/s1; GTMNLKRWZVHZAV-LBPRGKRZSA-N |
C(NC(c1cc(Cl)cc(Cl)c1)=O)(C(=O)O)CCC(C)( C)C; CC(C)(C)CC[CH](NC(=O)c1cc(Cl)cc(Cl) c1)C(O)=O; CC(C)(C)CC[C@H](NC(=O)c1cc(Cl )cc(Cl)c1)C(O)=O; CC(C)(C)CC[C@@H](C(=O) O)NC(=O)c1cc(cc(c1)Cl)Cl; CC(C)(C)CCC(C( =O)O)NC(=O)c1cc(cc(c1)Cl)Cl |
N-(3,5-dichlorobenzene-1-carbonyl)-5,5-dimethyl-L-norleucine |
| 43702 |  UP5 DB03664 ZINC000263620318 |
1 | C19 H28 N7 O24 P5 | InChI=1S/C19H28N7O24P5/c2 0-15-10-16(22-5-21-15)26( 6-23-10)18-14(31)12(29)8( 46-18)4-44-52(35,36)48-54 (39,40)50-55(41,42)49-53( 37,38)47-51(33,34)43-3-7- 11(28)13(30)17(45-7)25-2- 1-9(27)24-19(25)32/h1-2,5 -8,11-14,17-18,28-31H,3-4 H2,(H,33,34)(H,35,36)(H,3 7,38)(H,39,40)(H,41,42)(H 2,20,21,22)(H,24,27,32)/t 7-,8-,11-,12-,13-,14-,17- ,18-/m1/s1; CPTLFMDLEWCNMJ-KPKSGTNCSA-N |
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O [P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)( =O)OC[CH]4O[CH]([CH](O)[CH]4O)N5C=CC(=O) NC5=O)[CH](O)[CH]3O; Nc1ncnc2n(cnc12)[C@ @H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[ P@](O)(=O)O[P@](O)(=O)O[P@](O)(=O)OC[C@H ]4O[C@H]([C@H](O)[C@@H]4O)N5C=CC(=O)NC5= O)[C@@H](O)[C@H]3O; c1nc(c2c(n1)n(cn2)[C @H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O) O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[ P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O 4)N5C=CC(=O)NC5=O)O)O)O)O)N; c1nc(c2c(n1 )n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP( =O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C =CC(=O)NC5=O)O)O)O)O)N |
P1-(ADENOSINE-5'-P5-(URIDINE-5')PENTAPHOSPHATE |
| 43703 |  UP6 CHEMBL463480 DB03718 ZINC000012503861 |
86 | C8 H12 N3 O9 P | InChI=1S/C8H12N3O9P/c12-4 -1-9-11(8(15)10-4)7-6(14) 5(13)3(20-7)2-19-21(16,17 )18/h1,3,5-7,13-14H,2H2,( H,10,12,15)(H2,16,17,18)/ t3-,5-,6-,7-/m1/s1; LRVZOSYMNMNQFR-SHUUEZRQSA-N |
C1=NN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O) O)O; O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O) =O)N2N=CC(=O)NC2=O; O[C@H]1[C@@H](O)[C@@ H](O[C@@H]1CO[P](O)(O)=O)N2N=CC(=O)NC2=O ; C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([ C@H](O2)COP(=O)(O)O)O)O; O=C1N(N=CC(=O)N 1)C2OC(C(O)C2O)COP(=O)(O)O |
6-AZA URIDINE 5'-MONOPHOSPHATE; 6-AZA-UMP |
| 43704 |  UP8 CHEMBL2420929 ZINC000000389579 |
2 | C8 H7 N O4 | InChI=1S/C8H7NO4/c9-5-3-1 -2-4(7(10)11)6(5)8(12)13/ h1-3H,9H2,(H,10,11)(H,12, 13); WGLQHUKCXBXUDV-UHFFFAOYSA-N |
c1cc(c(c(c1)N)C(=O)O)C(=O)O; Nc1cccc(C(O )=O)c1C(O)=O |
3-AMINOBENZENE-1,2-DICARBOXYLIC ACID |
| 43705 |  UP9 |
1 | C28 H38 F N7 O3 | InChI=1S/C28H38FN7O3/c1-3 2-8-11-34(12-9-32)27(38)1 7-5-6-19-22(14-17)31-24-2 0(26(30)37)15-21(29)25(23 (19)24)35-7-3-4-18(16-35) 36-13-10-33(2)28(36)39/h1 5,17-18,31H,3-14,16H2,1-2 H3,(H2,30,37)/t17-,18-/m0 /s1; HAKSZOOIIKBVPT-ROUUACIJSA-N |
CN1CCN(CC1)C(=O)[C@H]2CCc3c(C2)[nH]c4c(c c(F)c(N5CCC[C@H](C5)N6CCN(C)C6=O)c34)C(N )=O; CN1CCN(CC1)C(=O)[C@H]2CCc3c([nH]c4c 3c(c(cc4C(=O)N)F)N5CCC[C@H](C5)N6CCN(C6= O)C)C2; CN1CCN(CC1)C(=O)C2CCc3c([nH]c4c3 c(c(cc4C(=O)N)F)N5CCCC(C5)N6CCN(C6=O)C)C 2; O=C(N1CCN(C)CC1)C1Cc2[NH]c3c(cc(F)c(N 4CCCC(C4)N4CCN(C)C4=O)c3c2CC1)C(N)=O; CN 1CCN(CC1)C(=O)[CH]2CCc3c(C2)[nH]c4c(cc(F )c(N5CCC[CH](C5)N6CCN(C)C6=O)c34)C(N)=O |
(2S)-6-fluoro-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-(4-methylpiperazine-1-carbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide |
| 43706 |  UPA DB03447 ZINC000015268260 |
2 | C19 H24 N7 O12 P | InChI=1S/C19H24N7O12P/c20 -15-10-16(22-5-21-15)26(6 -23-10)17-13(31)11(29)8(3 7-17)4-35-39(33,34)38-14- 12(30)7(3-27)36-18(14)25- 2-1-9(28)24-19(25)32/h1-2 ,5-8,11-14,17-18,27,29-31 H,3-4H2,(H,33,34)(H2,20,2 1,22)(H,24,28,32)/t7-,8-, 11-,12-,13-,14-,17-,18-/m 1/s1; QARCCHXXGAIRFS-KPKSGTNCSA-N |
O=C1C=CN(C(=O)N1)C5OC(CO)C(O)C5OP(=O)(O) OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O; c1nc(c2 c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3) CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H] 4N5C=CC(=O)NC5=O)CO)O)O)O)N; Nc1ncnc2n(c nc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[C@@H] 4[C@H](O)[C@@H](CO)O[C@H]4N5C=CC(=O)NC5= O)[C@@H](O)[C@H]3O; c1nc(c2c(n1)n(cn2)C3 C(C(C(O3)COP(=O)(O)OC4C(C(OC4N5C=CC(=O)N C5=O)CO)O)O)O)N; Nc1ncnc2n(cnc12)[CH]3O[ CH](CO[P](O)(=O)O[CH]4[CH](O)[CH](CO)O[C H]4N5C=CC(=O)NC5=O)[CH](O)[CH]3O |
URIDYLYL-2'-5'-PHOSPHO-ADENOSINE |
| 43707 |  UPB ZINC000004096951 |
1 | C33 H36 N4 O6 | InChI=1S/C33H36N4O6/c1-7- 20-19(6)32(42)37-27(20)14 -25-18(5)23(10-12-31(40)4 1)29(35-25)15-28-22(9-11- 30(38)39)17(4)24(34-28)13 -26-16(3)21(8-2)33(43)36- 26/h7-8,13-15,19,34H,2,9- 12H2,1,3-6H3,(H,36,43)(H, 37,42)(H,38,39)(H,40,41)/ b20-7-,26-13-,27-14-,29-1 5-/t19-/m1/s1; SNHIGJASYQUMKZ-NSNBCYBJSA-N |
C/C=C\1/[C@H](C(=O)N/C1=C\C2=N/C(=C\c3c( c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CC C(=O)O)/C(=C2C)CCC(=O)O)C; CC=C1C(C(=O)N C1=CC2=NC(=Cc3c(c(c([nH]3)C=C4C(=C(C(=O) N4)C=C)C)C)CCC(=O)O)C(=C2C)CCC(=O)O)C; C C=C1[CH](C)C(=O)NC1=CC2=NC(=Cc3[nH]c(C=C 4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)C(=C2C) CCC(O)=O; C\C=C/1[C@@H](C)C(=O)NC/1=C/C2 =N\C(=C/c3[nH]c(\C=C4/NC(=O)C(=C4C)C=C)c (C)c3CCC(O)=O)C(=C2C)CCC(O)=O |
3-[5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[5-[(~{Z})-[(4~{R})-3-ethyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid |
| 43708 |  UPC |
3 | C10 H17 N2 O13 P3 | InChI=1S/C10H17N2O13P3/c1 3-6-3-9(12-2-1-8(14)11-10 (12)15)24-7(6)4-23-26(16, 17)5-27(18,19)25-28(20,21 )22/h1-2,6-7,9,13H,3-5H2, (H,16,17)(H,18,19)(H,11,1 4,15)(H2,20,21,22)/t6-,7+ ,9+/m0/s1; CLYYXAGDTAZMBH-LKEWCRSYSA-N |
O[CH]1C[CH](O[CH]1CO[P](O)(=O)C[P](O)(=O )O[P](O)(O)=O)N2C=CC(=O)NC2=O; O[C@H]1C[ C@@H](O[C@@H]1CO[P](O)(=O)C[P](O)(=O)O[P ](O)(O)=O)N2C=CC(=O)NC2=O; O=P(O)(O)OP(= O)(O)CP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C C2O; C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(CP (=O)(O)OP(=O)(O)O)O)O; C1[C@@H]([C@H](O[ C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(C[P@@]( =O)(O)OP(=O)(O)O)O)O |
2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine |
| 43709 |  UPD |
1 | C14 H19 N3 O3 | InChI=1S/C14H19N3O3/c1-10 (18)17-7-5-11(6-8-17)14(1 9)16-12-3-4-13(20-2)15-9- 12/h3-4,9,11H,5-8H2,1-2H3 ,(H,16,19); ZIGOYOFMTWMITB-UHFFFAOYSA-N |
COc1ccc(NC(=O)C2CCN(CC2)C(C)=O)cn1; CC(= O)N1CCC(CC1)C(=O)Nc2ccc(nc2)OC; N(c1cnc( cc1)OC)C(C2CCN(C(C)=O)CC2)=O |
1-acetyl-N-(6-methoxypyridin-3-yl)piperidine-4-carboxamide |
| 43710 |  UPE ZINC000098209501 |
0 | C18 H22 N3 O9 P | InChI=1S/C18H22N3O9P/c22- 13-8-15(30-14(13)10-29-31 (26,27)28)21-9-12(17(24)2 0-18(21)25)16(23)19-7-6-1 1-4-2-1-3-5-11/h1-5,9,13- 15,22H,6-8,10H2,(H,19,23) (H,20,24,25)(H2,26,27,28) /t13-,14+,15+/m0/s1; CBTXGTWTWUZPNV-RRFJBIMHSA-N |
c1ccc(cc1)CCNC(=O)C2=CN(C(=O)NC2=O)C3CC( C(O3)COP(=O)(O)O)O; c1ccc(cc1)CCNC(=O)C2 =CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO P(=O)(O)O)O; O=P(O)(O)OCC3OC(N2C(=O)NC(= O)C(C(=O)NCCc1ccccc1)=C2)CC3O; O[CH]1C[C H](O[CH]1CO[P](O)(O)=O)N2C=C(C(=O)NCCc3c cccc3)C(=O)NC2=O; O[C@H]1C[C@@H](O[C@@H] 1CO[P](O)(O)=O)N2C=C(C(=O)NCCc3ccccc3)C( =O)NC2=O |
2'-deoxy-5-[(2-phenylethyl)carbamoyl]uridine 5'-(dihydrogen phosphate) |
| 43711 |  UPF DB02976 ZINC000015553713 |
7 | C15 H23 F N2 O16 P2 | InChI=1S/C15H23FN2O16P2/c 16-8-11(23)9(21)5(3-19)32 -14(8)33-36(28,29)34-35(2 6,27)30-4-6-10(22)12(24)1 3(31-6)18-2-1-7(20)17-15( 18)25/h1-2,5-6,8-14,19,21 -24H,3-4H2,(H,26,27)(H,28 ,29)(H,17,20,25)/t5-,6-,8 -,9+,10-,11-,12-,13-,14-/ m1/s1; NGTCPFGWXMBZEP-KBQKSTHMSA-N |
OC[C@H]1O[C@H](O[P@@](O)(=O)O[P@@](O)(=O )OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC( =O)NC3=O)[C@H](F)[C@@H](O)[C@H]1O; O=P(O C1OC(C(O)C(O)C1F)CO)(O)OP(=O)(O)OCC3OC(N 2C=CC(=O)NC2=O)C(O)C3O; C1=CN(C(=O)NC1=O )C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C( C(O3)CO)O)O)F)O)O; C1=CN(C(=O)NC1=O)[C@H ]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O [P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([ C@H](O3)CO)O)O)F)O)O; OC[CH]1O[CH](O[P]( O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH ]2O)N3C=CC(=O)NC3=O)[CH](F)[CH](O)[CH]1O |
URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUOROGALACTOSE; URIDINE-5'-MONOPHOSPHATE 2-DEOXY-2-FLUORO-GALACTOPYRANOSYL-MONOPHOSPHATE ESTER |
| 43712 |  UPG CHEMBL375951 DB01861 ZINC000008215472 |
325 | C15 H24 N2 O17 P2 | InChI=1S/C15H24N2O17P2/c1 8-3-5-8(20)10(22)12(24)14 (32-5)33-36(28,29)34-35(2 6,27)30-4-6-9(21)11(23)13 (31-6)17-2-1-7(19)16-15(1 7)25/h1-2,5-6,8-14,18,20- 24H,3-4H2,(H,26,27)(H,28, 29)(H,16,19,25)/t5-,6-,8- ,9-,10+,11-,12-,13-,14-/m 1/s1; HSCJRCZFDFQWRP-JZMIEXBBSA-N |
OC[C@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[ C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)N C3=O)[C@H](O)[C@@H](O)[C@@H]1O; O=C1C=CN (C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3 OC(C(O)C(O)C3O)CO)O)O; OC[CH]1O[CH](O[P] (O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[C H]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1 O; C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]( [C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H ]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O) O)O; C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O) (O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O |
URIDINE-5'-DIPHOSPHATE-GLUCOSE; URIDINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER |
| 43713 |  UPH |
2 | C24 H38 N4 O7 | InChI=1S/C24H38N4O7/c29-1 3-21-23(31)24(32)22(30)12 -26(21)10-4-2-1-3-9-25-19 -8-7-16(11-20(19)28(33)34 )27-17-5-6-18(27)15-35-14 -17/h7-8,11,17-18,21-25,2 9-32H,1-6,9-10,12-15H2/t1 7-,18+,21-,22+,23-,24-/m1 /s1; QGCBQROIBSZCHP-OAOHXRHQSA-N |
c1cc(c(cc1N2[C@@H]3CC[C@H]2COC3)[N+](=O) [O-])NCCCCCCN4C[C@@H]([C@H]([C@@H]([C@H] 4CO)O)O)O; OC[C@@H]1[C@@H](O)[C@H](O)[C@ @H](O)CN1CCCCCCNc2ccc(cc2[N+]([O-])=O)N3 [C@H]4CC[C@@H]3COC4; OC[CH]1[CH](O)[CH]( O)[CH](O)CN1CCCCCCNc2ccc(cc2[N+]([O-])=O )N3[CH]4CC[CH]3COC4; OCC1C(O)C(O)C(O)CN1 CCCCCCNc1ccc(cc1[N+]([O-])=O)N1C2CCC1COC 2; c1cc(c(cc1N2C3CCC2COC3)[N+](=O)[O-])N CCCCCCN4CC(C(C(C4CO)O)O)O |
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-{2-nitro-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]anilino}hexyl)piperidine-3,4,5-triol |
| 43714 |  UPI |
2 | C40 H38 N4 O16 | InChI=1S/C40H38N4O16/c45- 33(46)5-1-17-21(9-37(53)5 4)29-14-26-19(3-7-35(49)5 0)23(11-39(57)58)31(43-26 )16-28-20(4-8-36(51)52)24 (12-40(59)60)32(44-28)15- 27-18(2-6-34(47)48)22(10- 38(55)56)30(42-27)13-25(1 7)41-29/h13-16,41,44H,1-1 2H2,(H,45,46)(H,47,48)(H, 49,50)(H,51,52)(H,53,54)( H,55,56)(H,57,58)(H,59,60 )/b25-13-,26-14-,27-15-,2 8-16-,29-14-,30-13-,31-16 -,32-15-; DAFUFNRZWDWXJP-JRHDEHKPSA-N |
c1c2c(c(c([nH]2)cc3nc(cc4c(c(c([nH]4)cc5 nc1C(=C5CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O) O)C(=C3CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O ; OC(=O)CCc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc (c2)c(CC(O)=O)c5CCC(O)=O)c(CC(O)=O)c4CCC (O)=O)c(CC(O)=O)c3CCC(O)=O)c1CC(O)=O; c1 \c2c(c(c([nH]2)cc3nc(/cc\4/c(c(c([nH]4)c c5n/c1/C(=C5CCC(=O)O)CC(=O)O)CC(=O)O)CCC (=O)O)C(=C3CCC(=O)O)CC(=O)O)CC(=O)O)CCC( =O)O |
3-[(1Z,9Z)-3,8,13,18-tetrakis(2-hydroxy-2-oxoethyl)-7,12,17-tris(3-hydroxy-3-oxopropyl)-21,23-dihydroporphyrin-2-yl]propanoic acid; uroporphyrin I |
| 43715 |  UPJ |
1 | C15 H20 N2 O2 | InChI=1S/C15H20N2O2/c1-12 (18)17-10-8-13(9-11-17)15 (19)16(2)14-6-4-3-5-7-14/ h3-7,13H,8-11H2,1-2H3; UGFUNCZTAQSFHR-UHFFFAOYSA-N |
N(c1ccccc1)(C)C(C2CCN(C(C)=O)CC2)=O; CN( C(=O)C1CCN(CC1)C(C)=O)c2ccccc2; CC(=O)N1 CCC(CC1)C(=O)N(C)c2ccccc2 |
1-acetyl-N-methyl-N-phenylpiperidine-4-carboxamide |
| 43716 |  UPK |
3 | C16 H12 N2 O2 | InChI=1S/C16H12N2O2/c19-1 1-13-6-7-14(10-15(13)20)1 8-9-8-17-16(18)12-4-2-1-3 -5-12/h1-11,20H; KMBWPCASOARYEQ-UHFFFAOYSA-N |
c1ccc(cc1)c2nccn2c3ccc(c(c3)O)C=O; Oc1cc (ccc1C=O)n2ccnc2c3ccccc3 |
2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol |
| 43717 |  UPL |
0 | C34 H70 | InChI=1S/C34H70/c1-4-7-10 -13-16-18-19-21-24-27-30- 33-34(31-28-25-22-15-12-9 -6-3)32-29-26-23-20-17-14 -11-8-5-2/h34H,4-33H2,1-3 H3; QPCSNFPFMCVVAI-UHFFFAOYSA-N |
CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCC C; C(CCCCCCCC(CCCCCCCCC)CCCCCCCCCCC)CCCC C; CCCCCCCCCCCCCC(CCCCCCCCC)CCCCCCCCCCC |
UNKNOWN BRANCHED FRAGMENT OF PHOSPHOLIPID; UNKNOWN PHOSPHOLIPID FRAGMENT |
| 43718 |  UPM ZINC000098209502 |
0 | C20 H31 N3 O20 P2 | InChI=1S/C20H31N3O20P2/c1 -7(18(31)32)39-16-12(21-1 1(27)5-25)19(41-8(4-24)14 (16)29)42-45(36,37)43-44( 34,35)38-6-9-13(28)15(30) 17(40-9)23-3-2-10(26)22-2 0(23)33/h2-3,7-9,12-17,19 ,24-25,28-30H,4-6H2,1H3,( H,21,27)(H,31,32)(H,34,35 )(H,36,37)(H,22,26,33)/t7 -,8-,9-,12-,13-,14-,15-,1 6-,17-,19-/m1/s1; NZYFYXRHIWOMRL-LRVZQNRTSA-N |
C[C@@H](O[C@H]1[C@H](O)[C@@H](CO)O[C@H]( O[P@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]( [C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@@H]1 NC(=O)CO)C(O)=O; O=P(OC1OC(C(O)C(OC(C(=O )O)C)C1NC(=O)CO)CO)(O)OP(=O)(O)OCC3OC(N2 C=CC(=O)NC2=O)C(O)C3O; C[C@H](C(=O)O)O[C @@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@ @](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H ]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)CO ; C[CH](O[CH]1[CH](O)[CH](CO)O[CH](O[P]( O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH ]2O)N3C=CC(=O)NC3=O)[CH]1NC(=O)CO)C(O)=O ; CC(C(=O)O)OC1C(C(OC(C1O)CO)OP(=O)(O)OP (=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O) NC(=O)CO |
URIDINE-5'-DIPHOSPHATE-N-1-HYDROOXY-ETHANOYL MURAMAIC ACID |
| 43719 |  UPN ZINC000098209503 |
1 | C20 H29 N3 O19 P2 | InChI=1S/C20H29N3O19P2/c1 -7(18(30)31)38-16-12(21-8 (2)25)19(40-9(5-24)14(16) 28)41-44(35,36)42-43(33,3 4)37-6-10-13(27)15(29)17( 39-10)23-4-3-11(26)22-20( 23)32/h3-4,9-10,12-17,19, 24,27-29H,1,5-6H2,2H3,(H, 21,25)(H,30,31)(H,33,34)( H,35,36)(H,22,26,32)/t9-, 10-,12-,13-,14+,15-,16-,1 7-,19-/m1/s1; BEGZZYPUNCJHKP-ZDFMKFTCSA-N |
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1 O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([ C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O) OC(=C)C(=O)O; CC(=O)N[C@H]1[C@H](O[C@H]( CO)[C@H](O)[C@@H]1OC(=C)C(O)=O)O[P](O)(= O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@ H]2O)N3C=CC(=O)NC3=O; CC(=O)N[CH]1[CH](O [CH](CO)[CH](O)[CH]1OC(=C)C(O)=O)O[P](O) (=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2 O)N3C=CC(=O)NC3=O; CC(=O)NC1C(C(C(OC1OP( =O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC 3=O)O)O)CO)O)OC(=C)C(=O)O; O=C1C=CN(C(=O )N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C( O)C(O\C(=C)C(=O)O)C3NC(=O)C)CO)O)O |
2-{[(2R,3R,4R,5R,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}prop-2-enoic acid |
| 43720 |  UPO CHEMBL5570068 |
1 | C22 H24 N4 O3 | InChI=1S/C22H24N4O3/c1-27 -17-6-4-5-15(9-17)18-12-2 1(25-22(23)24-18)26-8-7-1 4-10-19(28-2)20(29-3)11-1 6(14)13-26/h4-6,9-12H,7-8 ,13H2,1-3H3,(H2,23,24,25); NPOWEYVUOJZLJJ-UHFFFAOYSA-N |
COc1cccc(c1)c2cc(nc(N)n2)N3CCc4cc(OC)c(O C)cc4C3; COc1cccc(c1)c2cc(nc(n2)N)N3CCc4 cc(c(cc4C3)OC)OC |
4-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine |
| 43721 |  UPP CHEMBL1199734 DB02790 ZINC000016052541 |
4 | C15 H18 N2 O12 P2 | InChI=1S/C15H18N2O12P2/c1 8-11-6-7-17(15(21)16-11)1 4-13(20)12(19)10(27-14)8- 26-30(22,23)29-31(24,25)2 8-9-4-2-1-3-5-9/h1-7,10,1 2-14,19-20H,8H2,(H,22,23) (H,24,25)(H,16,18,21)/t10 -,12-,13-,14-/m1/s1; ZHUWBKDWWGKIEN-FMKGYKFTSA-N |
c1ccc(cc1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@ H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O )O)O; O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(= O)O[P](O)(=O)Oc2ccccc2)N3C=CC(=O)NC3=O; O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P@](O) (=O)O[P@](O)(=O)Oc2ccccc2)N3C=CC(=O)NC3= O; c1ccc(cc1)OP(=O)(O)OP(=O)(O)OCC2C(C(C (O2)N3C=CC(=O)NC3=O)O)O; O=P(O)(Oc1ccccc 1)OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C=C2)C(O) C3O |
PHENYL-URIDINE-5'-DIPHOSPHATE |
| 43722 |  UPQ ZINC000034441230 |
1 | C11 H10 N2 O | InChI=1S/C11H10N2O/c1-9-6 -13(8-12-9)11-4-2-10(7-14 )3-5-11/h2-8H,1H3; PVVBFOHONHPONZ-UHFFFAOYSA-N |
Cc1cn(cn1)c2ccc(C=O)cc2; Cc1cn(cn1)c2ccc (cc2)C=O |
4-(4-methylimidazol-1-yl)benzaldehyde |
| 43723 |  UPR |
0 | C9 H18 N3 O14 P3 | InChI=1S/C9H18N3O14P3/c13 -5-3-8(12-2-1-7(14)10-9(1 2)15)25-6(5)4-24-29(21,22 ,23)11-27(16,17)26-28(18, 19)20/h1-2,5-6,8,13,21-23 H,3-4H2,(H,10,14,15)(H2,1 1,16,17)(H2,18,19,20)/t5- ,6+,8+/m0/s1; VZYHSAMJZCSQOU-SHYZEUOFSA-N |
O[CH]1C[CH](O[CH]1CO[P](O)(O)(O)N[P](O)( =O)O[P](O)(O)=O)N2C=CC(=O)NC2=O; C1C(C(O C1N2C=CC(=O)NC2=O)COP(NP(=O)(O)OP(=O)(O) O)(O)(O)O)O; P(O)(O)(O)(NP(=O)(O)OP(=O)( O)O)OCC1OC(CC1O)N2C(=O)NC(=O)C=C2; C1[C@ @H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(N[P @@](=O)(O)OP(=O)(O)O)(O)(O)O)O; O[C@H]1C [C@@H](O[C@@H]1CO[P](O)(O)(O)N[P](O)(=O) O[P](O)(O)=O)N2C=CC(=O)NC2=O |
2'-DEOXYURIDINE-5'-ALPHA,BETA-AMINOPHOSPHORANE-TRIPHOSPHATE |
| 43724 |  UPS |
0 | C9 H13 N2 O7 P S | InChI=1S/C9H13N2O7PS/c12- 5-3-8(11-2-1-7(13)10-9(11 )14)18-6(5)4-17-19(15,16) 20/h1-2,5-6,8,12H,3-4H2,( H,10,13,14)(H2,15,16,20)/ t5-,6+,8+/m0/s1; LGZBLTPUGKWVDT-SHYZEUOFSA-N |
O=C1NC(=O)N(C=C1)C2OC(C(O)C2)COP(=S)(O)O ; O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=S)N 2C=CC(=O)NC2=O; C1[C@@H]([C@H](O[C@H]1N2 C=CC(=O)NC2=O)COP(=S)(O)O)O; C1C(C(OC1N2 C=CC(=O)NC2=O)COP(=S)(O)O)O; O[CH]1C[CH] (O[CH]1CO[P](O)(O)=S)N2C=CC(=O)NC2=O |
2'-deoxy-5'-O-thiophosphonouridine |
| 43725 |  UPT |
5 | C9 H11 N2 O7 P S | InChI=1S/C9H11N2O7PS/c12- 3-4-6-7(18-19(15,20)17-6) 8(16-4)11-2-1-5(13)10-9(1 1)14/h1-2,4,6-8,12H,3H2,( H,15,20)(H,10,13,14)/t4-, 6-,7-,8-,19-/m1/s1; OIDQHQCLWHMGIL-VQAIERIMSA-N |
C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H ](O2)CO)O[P@@](=S)(O3)O; S=P1(OC2C(OC(C2 O1)CO)N3C=CC(=O)NC3=O)O; C1=CN(C(=O)NC1= O)C2C3C(C(O2)CO)OP(=S)(O3)O; OC[CH]1O[CH ]([CH]2O[P](O)(=S)O[CH]12)N3C=CC(=O)NC3= O; OC[C@H]1O[C@H]([C@@H]2O[P@](O)(=S)O[C @H]12)N3C=CC(=O)NC3=O |
1-[(2R,3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-sulfidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4(1H,3H)-dione |
| 43726 |  UPU ZINC000016052409 |
5 | C18 H23 N4 O14 P | InChI=1S/C18H23N4O14P/c23 -5-7-14(13(28)16(34-7)22- 4-2-10(25)20-18(22)30)36- 37(31,32)33-6-8-11(26)12( 27)15(35-8)21-3-1-9(24)19 -17(21)29/h1-4,7-8,11-16, 23,26-28H,5-6H2,(H,31,32) (H,19,24,29)(H,20,25,30)/ t7-,8-,11-,12-,13-,14-,15 -,16-/m1/s1; KXSPLNAXPMVUEC-NCOIDOBVSA-N |
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OC 3C(OC(C3O)N4C=CC(=O)NC4=O)CO)O)O; O=C1C= CN(C(=O)N1)C4OC(CO)C(OP(=O)(O)OCC3OC(N2C (=O)NC(=O)C=C2)C(O)C3O)C4O; C1=CN(C(=O)N C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@] (=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C =CC(=O)NC4=O)CO)O)O; OC[CH]1O[CH]([CH](O )[CH]1O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH ]2O)N3C=CC(=O)NC3=O)N4C=CC(=O)NC4=O; OC[ C@H]1O[C@H]([C@H](O)[C@@H]1O[P@](O)(=O)O C[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O )NC3=O)N4C=CC(=O)NC4=O |
|
| 43727 |  UPV ZINC000098209504 |
0 | C15 H23 N2 O11 P | InChI=1S/C15H23N2O11P/c1- 15(2,3)13(20)26-7-25-11-1 0(19)8(6-27-29(22,23)24)2 8-12(11)17-5-4-9(18)16-14 (17)21/h4-5,8,10-12,19H,6 -7H2,1-3H3,(H,16,18,21)(H 2,22,23,24)/t8-,10-,11-,1 2-/m1/s1; AVEWAPSZWXGLGF-HJQYOEGKSA-N |
CC(C)(C)C(=O)OCOC1C(C(OC1N2C=CC(=O)NC2=O )COP(=O)(O)O)O; CC(C)(C)C(=O)OCO[CH]1[CH ](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)N C2=O; CC(C)(C)C(=O)OCO[C@@H]1[C@H](O)[C@ @H](CO[P](O)(O)=O)O[C@H]1N2C=CC(=O)NC2=O ; O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(OC OC(=O)C(C)(C)C)C2O; CC(C)(C)C(=O)OCO[C@@ H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)C OP(=O)(O)O)O |
2'-O-{[(2,2-dimethylpropanoyl)oxy]methyl}uridine 5'-(dihydrogen phosphate) |
| 43728 |  UPW |
1 | C14 H13 N4 O6 | InChI=1S/C14H12N4O6/c19-1 0-5-6-11(17-13(10)14(22)1 5-7-12(20)21)16-8-1-3-9(4 -2-8)18(23)24/h1-6H,7H2,( H4-,15,16,17,19,20,21,22, 23,24)/p+1; ISGBDWMUHZDQRG-UHFFFAOYSA-O |
c1cc(ccc1Nc2ccc(c(n2)C(=O)NCC(=O)O)O)[N+ ](=O)O; OC(=O)CNC(=O)c1nc(Nc2ccc(cc2)[N+ ](O)=O)ccc1O |
2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid |
| 43729 |  UPX ZINC000095920526 |
1 | C20 H17 N7 O3 | InChI=1S/C20H17N7O3/c1-12 (25-26-20-21-9-10-22-20)1 3-5-7-15(8-6-13)23-19(28) 16-11-14-3-2-4-17(27(29)3 0)18(14)24-16/h2-11,24H,1 H3,(H,23,28)(H2,21,22,26) /b25-12+; ZRMHKCSZOJQCBI-BRJLIKDPSA-N |
CC(=NNc1[nH]ccn1)c2ccc(NC(=O)c3[nH]c4c(c ccc4[N+]([O-])=O)c3)cc2; CC(=N\Nc1[nH]cc n1)/c2ccc(NC(=O)c3[nH]c4c(cccc4[N+]([O-] )=O)c3)cc2; CC(=NNc1[nH]ccn1)c2ccc(cc2)N C(=O)c3cc4cccc(c4[nH]3)[N+](=O)[O-]; C/C (=N\Nc1[nH]ccn1)/c2ccc(cc2)NC(=O)c3cc4cc cc(c4[nH]3)[N+](=O)[O-]; [O-][N+](=O)c2c ccc1cc(nc12)C(=O)Nc4ccc(/C(=N/Nc3nccn3)C )cc4 |
N-{4-[(1E)-N-1H-IMIDAZOL-2-YLETHANEHYDRAZONOYL]PHENYL}-7-NITRO-1H-INDOLE-2-CARBOXAMIDE |
| 43730 |  UPZ ZINC000000027938 |
1 | C10 H11 N3 O3 | InChI=1S/C10H11N3O3/c1-3- 16-10(15)7-5-11-8-4-9(14) 12-13(8)6(7)2/h4-5H,3H2,1 -2H3,(H,12,14); UGSAIASUGJTLIZ-UHFFFAOYSA-N |
CCOC(=O)C1=C(C)N2NC(=O)C=C2N=C1; CCOC(=O )C1=C(N2C(=CC(=O)N2)N=C1)C |
ethyl 7-methyl-2-oxidanylidene-1,3-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate |
| 43731 |  UQ |
149 | C59 H90 O4 | InChI=1S/C59H90O4/c1-44(2 )24-15-25-45(3)26-16-27-4 6(4)28-17-29-47(5)30-18-3 1-48(6)32-19-33-49(7)34-2 0-35-50(8)36-21-37-51(9)3 8-22-39-52(10)40-23-41-53 (11)42-43-55-54(12)56(60) 58(62-13)59(63-14)57(55)6 1/h24,26,28,30,32,34,36,3 8,40,42H,15-23,25,27,29,3 1,33,35,37,39,41,43H2,1-1 4H3/b45-26?,46-28?,47-30- ,48-32+,49-34+,50-36+,51- 38-,52-40+,53-42-; ACTIUHUUMQJHFO-RECDIHICSA-N |
CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(\C)/CCC =C(C)CC\C=C(\C)/CC\C=C(/C)\CC\C=C(/C)\CC \C=C(/C)\CC\C=C(\C)/CCC=C(C)CCC=C(C)CCC= C(C)C; CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C )CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C )CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C; O=C1 C(=C(C(=O)C(OC)=C1OC)C)C/C=C(/C)CC\C=C(/ C)CC/C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/ C)CC/C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/ C)C; COC1=C(OC)C(=O)C(=C(C)C1=O)C\C=C(\C )CC\C=C(/C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C )CC\C=C(/C)CC\C=C(\C)CCC=C(C)CCC=C(C)CCC =C(C)C; COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C( C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C( C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C |
Coenzyme Q10, (2Z,6E,10Z,14E,18E,22E,26Z)-isomer |
| 43732 |  UQ0 CHEMBL1812772 ZINC000000155259 |
45 | C9 H10 O4 | InChI=1S/C9H10O4/c1-5-4-6 (10)8(12-2)9(13-3)7(5)11/ h4H,1-3H3; UIXPTCZPFCVOQF-UHFFFAOYSA-N |
CC1=CC(=O)C(=C(C1=O)OC)OC; COC1=C(OC)C(= O)C(=CC1=O)C; O=C1C=C(C(=O)C(OC)=C1OC)C |
2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE |
| 43733 |  UQ1 CHEMBL1236594 DB08689 ZINC000001559692 |
113 | C14 H18 O4 | InChI=1S/C14H18O4/c1-8(2) 6-7-10-9(3)11(15)13(17-4) 14(18-5)12(10)16/h6H,7H2, 1-5H3; SOECUQMRSRVZQQ-UHFFFAOYSA-N |
COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)C; CC1 =C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C; O=C1C( =C(C(=O)C(OC)=C1OC)C)C\C=C(/C)C |
UBIQUINONE-1 |
| 43734 |  UQ2 CHEMBL1236595 DB08690 ZINC000001532641 |
39 | C19 H26 O4 | InChI=1S/C19H26O4/c1-12(2 )8-7-9-13(3)10-11-15-14(4 )16(20)18(22-5)19(23-6)17 (15)21/h8,10H,7,9,11H2,1- 6H3/b13-10+; SQQWBSBBCSFQGC-JLHYYAGUSA-N |
CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CCC =C(C)C; O=C1C(=C(C(=O)C(OC)=C1OC)C)C\C=C (/C)CC\C=C(/C)C; COC1=C(OC)C(=O)C(=C(C)C 1=O)CC=C(C)CCC=C(C)C; COC1=C(OC)C(=O)C(= C(C)C1=O)C\C=C(/C)CCC=C(C)C; CC1=C(C(=O) C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)C |
UBIQUINONE-2 |
| 43735 |  UQ3 ZINC000008216374 |
15 | C24 H40 N7 O18 P3 S | InChI=1S/C24H40N7O18P3S/c 1-12(32)23(37)53-7-6-26-1 4(33)4-5-27-21(36)18(35)2 4(2,3)9-46-52(43,44)49-51 (41,42)45-8-13-17(48-50(3 8,39)40)16(34)22(47-13)31 -11-30-15-19(25)28-10-29- 20(15)31/h10-13,16-18,22, 32,34-35H,4-9H2,1-3H3,(H, 26,33)(H,27,36)(H,41,42)( H,43,44)(H2,25,28,29)(H2, 38,39,40)/t12-,13-,16-,17 -,18+,22-/m1/s1; VIWKEBOLLIEAIL-AGCMQPJKSA-N |
C[CH](O)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C )(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]( [CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc2 3; CC(C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP (=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncn c3N)O)OP(=O)(O)O)O)O; C[C@H](C(=O)SCCNC( =O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O )(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc 3c2ncnc3N)O)OP(=O)(O)O)O)O; CC(O)C(=O)SC CNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(= O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O )(O)O; C[C@@H](O)C(=O)SCCNC(=O)CCNC(=O)[ C@H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[ C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O) n2cnc3c(N)ncnc23 |
S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2R)-2-hydroxypropanethioate; Lactyl-CoA |
| 43736 |  UQ4 |
0 | C9 H8 N4 O5 | InChI=1S/C9H8N4O5/c14-7(1 5)3-4-10-5-1-2-6(13(16)17 )9-8(5)11-18-12-9/h1-2,10 H,3-4H2,(H,14,15); MWTXZSDNHVFODA-UHFFFAOYSA-N |
C(=O)(CCNc1c2c(c(cc1)N(=O)=O)non2)O; c1c c(c2c(c1NCCC(=O)O)non2)N(=O)=O; OC(=O)CC Nc1ccc(c2nonc12)[N](=O)=O |
N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine |
| 43737 |  UQ5 ZINC000058649852 |
36 | C34 H50 O4 | InChI=1S/C34H50O4/c1-24(2 )14-10-15-25(3)16-11-17-2 6(4)18-12-19-27(5)20-13-2 1-28(6)22-23-30-29(7)31(3 5)33(37-8)34(38-9)32(30)3 6/h14,16,18,20,22H,10-13, 15,17,19,21,23H2,1-9H3/b2 5-16+,26-18+,27-20+,28-22 +; NYFAQDMDAFCWPU-UVCHAVPFSA-N |
CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C( C)CCC=C(C)CCC=C(C)CCC=C(C)C; CC1=C(C(=O) C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\ C=C(/C)\CC\C=C(/C)\CCC=C(C)C; COC1=C(OC) C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)CCC=C(C) CCC=C(C)CCC=C(C)C; COC1=C(OC)C(=O)C(=C(C )C1=O)C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C= C(/C)CCC=C(C)C; O=C1C(=C(C(=O)C(OC)=C1OC )C)C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/ C)CC/C=C(/C)C |
2,3-DIMETHOXY-5-METHYL-6-(3,11,15,19-TETRAMETHYL-EICOSA-2,6,10,14,18-PENTAENYL)-[1,4]BENZOQUINONE |
| 43738 |  UQ6 ZINC000064437272 |
52 | C39 H60 O4 | InChI=1S/C39H60O4/c1-28(2 )16-11-17-29(3)18-12-19-3 0(4)20-13-21-31(5)22-14-2 3-32(6)24-15-25-33(7)26-2 7-35-34(8)36(40)38(42-9)3 9(43-10)37(35)41/h16,18,2 0,22,24,26,40-41H,11-15,1 7,19,21,23,25,27H2,1-10H3 /b29-18+,30-20+,31-22-,32 -24+,33-26+; DYOSCPIQEYRQEO-XQCASOQKSA-N |
O(c1c(O)c(c(c(O)c1OC)C\C=C(/C)CC\C=C(/C) CC/C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C) C)C)C; Cc1c(c(c(c(c1O)OC)OC)O)CC=C(C)CCC =C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C; Cc1c(c(c(c(c1O)OC)OC)O)C\C=C(/C)\CC\C=C( /C)\CC\C=C(\C)/CC\C=C(/C)\CC\C=C(/C)\CCC =C(C)C; COc1c(O)c(C)c(CC=C(C)CCC=C(C)CCC =C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)c(O)c1OC; COc1c(O)c(C)c(C\C=C(/C)CC\C=C(/C)CC\C=C (\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c(O)c1 OC |
5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL |
| 43739 |  UQ7 ZINC000058649855 |
21 | C44 H66 O4 | InChI=1S/C44H66O4/c1-32(2 )18-12-19-33(3)20-13-21-3 4(4)22-14-23-35(5)24-15-2 5-36(6)26-16-27-37(7)28-1 7-29-38(8)30-31-40-39(9)4 1(45)43(47-10)44(48-11)42 (40)46/h18,20,22,24,26,28 ,30H,12-17,19,21,23,25,27 ,29,31H2,1-11H3/b33-20+,3 4-22+,35-24+,36-26+,37-28 +,38-30+; DBESHHFMIFSNRV-RJYQSXAYSA-N |
CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C( C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C( C)C; COC1=C(OC)C(=O)C(=C(C)C1=O)C\C=C(/C )CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C )CC\C=C(/C)CCC=C(C)C; COC1=C(OC)C(=O)C(= C(C)C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C) CCC=C(C)CCC=C(C)CCC=C(C)C; O=C1C(=C(C(=O )C(OC)=C1OC)C)C\C=C(/C)CC\C=C(/C)CC\C=C( /C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C( /C)C; CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/ C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C =C(/C)\CC\C=C(/C)\CCC=C(C)C |
UBIQUINONE-7 |
| 43740 |  UQ8 ZINC000058633050 |
173 | C49 H74 O4 | InChI=1S/C49H74O4/c1-36(2 )20-13-21-37(3)22-14-23-3 8(4)24-15-25-39(5)26-16-2 7-40(6)28-17-29-41(7)30-1 8-31-42(8)32-19-33-43(9)3 4-35-45-44(10)46(50)48(52 -11)49(53-12)47(45)51/h20 ,22,24,26,28,30,32,34H,13 -19,21,23,25,27,29,31,33, 35H2,1-12H3/b37-22+,38-24 +,39-26+,40-28+,41-30+,42 -32+,43-34+; ICFIZJQGJAJRSU-SGHXUWJISA-N |
CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C( C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C( C)CCC=C(C)C; CC1=C(C(=O)C(=C(C1=O)OC)OC) CC=C(C)CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\ CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C )C; COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CC C=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CC C=C(C)CCC=C(C)C; O=C1C(=C(C(=O)C(OC)=C1O C)C)C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C( /C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C( /C)C; COC1=C(OC)C(=O)C(=C(C)C1=O)C\C=C(C )\CC\C=C(C)\CC\C=C(C)\CC\C=C(C)\CC\C=C(C )\CC\C=C(C)\CC\C=C(C)\CCC=C(C)C |
Ubiquinone-8; 2,3-dimethoxy-5-methyl-6-[(6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-oc taen-1-yl]cyclohexa-2,5-diene-1,4-dione |
| 43741 |  UQ9 ZINC000098209509 |
72 | C54 H82 O4 | InChI=1S/C54H82O4/c1-40(2 )22-14-23-41(3)24-15-25-4 2(4)26-16-27-43(5)28-17-2 9-44(6)30-18-31-45(7)32-1 9-33-46(8)34-20-35-47(9)3 6-21-37-48(10)38-39-50-49 (11)51(55)53(57-12)54(58- 13)52(50)56/h22,24,26,28, 30,32,34,36,38H,14-21,23, 25,27,29,31,33,35,37,39H2 ,1-13H3/b41-24-,42-26+,43 -28+,44-30+,45-32-,46-34+ ,47-36+,48-38+; UUGXJSBPSRROMU-YJKFELPISA-N |
COC1=C(OC)C(=O)C(=C(C)C1=O)C/C=C(C)/CC\C =C(C)\CC/C=C(C)/CC\C=C(C)/CC/C=C(C)/CC\C =C(C)\CC/C=C(C)/CC\C=C(C)/CCC=C(C)C; COC 1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)C CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C CC=C(C)CCC=C(C)C; CC1=C(C(=O)C(=C(C1=O)O C)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\ C=C(\C)/CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C) \CC\C=C(\C)/CCC=C(C)C; O=C1C(=C(C(=O)C(O C)=C1OC)C)C\C=C(/C)CC\C=C(/C)CC\C=C(/C)C C/C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C C/C=C(/C)CC\C=C(/C)C; CC1=C(C(=O)C(=C(C1 =O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C) CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C) C |
Ubiquinone-9; 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14Z,18E,22E,26E,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18 ,22,26,30,34-nonaen-1-yl]cyclohexa-2,5-diene-1,4-dione |
| 43742 |  UQA CHEMBL40 DB01174 ZINC000095588079 |
4 | C12 H12 N2 O3 | InChI=1S/C12H12N2O3/c1-2- 12(8-6-4-3-5-7-8)9(15)13- 11(17)14-10(12)16/h3-7H,2 H2,1H3,(H2,13,14,15,16,17 ); DDBREPKUVSBGFI-UHFFFAOYSA-N |
CCC1(C(=O)NC(=O)NC1=O)c2ccccc2; CCC1(C(N C(=O)NC1=O)=O)c2ccccc2 |
5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione; Phenobarbital |
| 43743 |  UQB ZINC000002040653 |
1 | C8 H10 F N O | InChI=1S/C8H10FNO/c9-7-3- 1-6(2-4-7)8(11)5-10/h1-4, 8,11H,5,10H2/t8-/m0/s1; LPKXWVNNGWDLMT-QMMMGPOBSA-N |
c1cc(ccc1[C@H](CN)O)F; NC[C@H](O)c1ccc(F )cc1; NC[CH](O)c1ccc(F)cc1; c1cc(ccc1C(C N)O)F |
(1R)-2-amino-1-(4-fluorophenyl)ethanol; (1~{R})-2-azanyl-1-(4-fluorophenyl)ethanol |
| 43744 |  UQC CHEMBL1499 DB14681 ZINC000004083557 |
2 | C21 H28 O5 | InChI=1S/C21H28O5/c1-19-7 -5-13(23)9-12(19)3-4-14-1 5-6-8-21(26,17(25)11-22)2 0(15,2)10-16(24)18(14)19/ h9,14-15,18,22,26H,3-8,10 -11H2,1-2H3/t14-,15-,18+, 19-,20-,21-/m0/s1; MFYSYFVPBJMHGN-ZPOLXVRWSA-N |
C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@]( O)(C(=O)CO)[C@@]4(C)CC(=O)[C@H]23; C[C]1 2CCC(=O)C=C1CC[CH]3[CH]4CC[C](O)(C(=O)CO )[C]4(C)CC(=O)[CH]23; CC12CCC(=O)C=C1CCC 3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C; C[C@]12C CC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C @H]3CC[C@@]4(C(=O)CO)O)C |
Cortisone; (8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-oxidanyl-17-(2-oxidanylethanoyl)-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione; 17alpha,21-Dihydroxypregn-4-ene-3,11,20-trione |
| 43745 |  UQD CHEMBL4643810 |
1 | C18 H16 Cl N5 O | InChI=1S/C18H16ClN5O/c1-1 0-2-4-11(5-3-10)15-16(25) 18(23-9-22-15)24-14-7-6-1 2(17(20)21)8-13(14)19/h2- 9,25H,1H3,(H3,20,21)(H,22 ,23,24); SNGWZJUYWHIFIM-UHFFFAOYSA-N |
Cc1ccc(cc1)c2ncnc(Nc3ccc(cc3Cl)C(N)=N)c2 O; n2cnc(c1ccc(C)cc1)c(O)c2Nc3ccc(/C(N)= N)cc3Cl; [H]/N=C(\c1ccc(c(c1)Cl)Nc2c(c(n cn2)c3ccc(cc3)C)O)/N; Cc1ccc(cc1)c2c(c(n cn2)Nc3ccc(cc3Cl)C(=N)N)O |
3-chloro-4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide |
| 43746 |  UQE |
2 | C21 H20 N6 O5 S2 | InChI=1S/C21H20N6O5S2/c28 -16-6-4-14(5-7-16)11-18(2 1(29)25-30)27-13-15(24-26 -27)12-23-34(31,32)20-9-8 -19(33-20)17-3-1-2-10-22- 17/h1-10,13,18,23,28,30H, 11-12H2,(H,25,29)/t18-/m0 /s1; QHHWCHMBFWYFFS-SFHVURJKSA-N |
ONC(=O)[CH](Cc1ccc(O)cc1)n2cc(CN[S](=O)( =O)c3sc(cc3)c4ccccn4)nn2; c1ccnc(c1)c2cc c(s2)S(=O)(=O)NCc3cn(nn3)C(Cc4ccc(cc4)O) C(=O)NO; c1ccnc(c1)c2ccc(s2)S(=O)(=O)NCc 3cn(nn3)[C@@H](Cc4ccc(cc4)O)C(=O)NO; ONC (=O)[C@H](Cc1ccc(O)cc1)n2cc(CN[S](=O)(=O )c3sc(cc3)c4ccccn4)nn2 |
(2~{S})-3-(4-hydroxyphenyl)-~{N}-oxidanyl-2-[4-[[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]propanamide |
| 43747 |  UQF |
1 | C27 H36 N14 O7 | InChI=1S/C27H36N14O7/c28- 21-15-23(35-9-33-21)40(11 -37-15)25-19(45)17(43)12( 47-25)7-39(6-2-4-32-27(30 )31)5-1-3-14-38-16-22(29) 34-10-36-24(16)41(14)26-2 0(46)18(44)13(8-42)48-26/ h9-13,17-20,25-26,42-46H, 2,4-8H2,(H2,28,33,35)(H2, 29,34,36)(H4,30,31,32)/t1 2-,13?,17+,18+,19+,20+,25 -,26-/m0/s1; WIINMVYDNPDNAN-QOOQKWEPSA-N |
NC(=N)NCCCN(CC#Cc1nc2c(N)ncnc2n1[CH]3O[C H](CO)[CH](O)[CH]3O)C[CH]4O[CH]([CH](O)[ CH]4O)n5cnc6c(N)ncnc56; [H]/N=C(/N)\NCCC N(CC#Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]( [C@H](O3)CO)O)O)N)C[C@@H]4[C@H]([C@H]([C @@H](O4)n5cnc6c5ncnc6N)O)O; c1nc(c2c(n1) n(cn2)C3C(C(C(O3)CN(CCCNC(=N)N)CC#Cc4nc5 c(ncnc5n4C6C(C(C(O6)CO)O)O)N)O)O)N; NC(= N)NCCCN(CC#Cc1nc2c(N)ncnc2n1[C@@H]3O[C@H ](CO)[C@@H](O)[C@H]3O)C[C@H]4O[C@H]([C@H ](O)[C@@H]4O)n5cnc6c(N)ncnc56 |
1-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]propyl]guanidine |
| 43748 |  UQG CHEMBL4636716 |
1 | C18 H17 N5 O | InChI=1S/C18H17N5O/c1-11- 2-4-12(5-3-11)15-16(24)18 (22-10-21-15)23-14-8-6-13 (7-9-14)17(19)20/h2-10,24 H,1H3,(H3,19,20)(H,21,22, 23); FQSMNGLHSXWGEE-UHFFFAOYSA-N |
[H]/N=C(\c1ccc(cc1)Nc2c(c(ncn2)c3ccc(cc3 )C)O)/N; Cc1ccc(cc1)c2ncnc(Nc3ccc(cc3)C( N)=N)c2O; n2cnc(c1ccc(C)cc1)c(O)c2Nc3ccc (cc3)/C(N)=N; Cc1ccc(cc1)c2c(c(ncn2)Nc3c cc(cc3)C(=N)N)O |
4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide |
| 43749 |  UQH CHEMBL5401093 |
2 | C25 H36 N4 O4 | InChI=1S/C25H36N4O4/c30-1 6-22-24(32)25(33)23(31)15 -29(22)11-4-2-1-3-9-26-20 -13-18(17-7-8-17)12-19(14 -20)21-6-5-10-27-28-21/h5 -6,10,12-14,17,22-26,30-3 3H,1-4,7-9,11,15-16H2/t22 -,23+,24-,25-/m1/s1; LSJOTQOBANSWBZ-ZFFYZDHPSA-N |
c1cc(nnc1)c2cc(cc(c2)NCCCCCCN3C[C@@H]([C @H]([C@@H]([C@H]3CO)O)O)O)C4CC4; OCC1C(O )C(O)C(O)CN1CCCCCCNc1cc(cc(c1)C1CC1)c1cc cnn1; OC[CH]1[CH](O)[CH](O)[CH](O)CN1CCC CCCNc2cc(cc(c2)c3cccnn3)C4CC4; OC[C@@H]1 [C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCNc2cc (cc(c2)c3cccnn3)C4CC4; c1cc(nnc1)c2cc(cc (c2)NCCCCCCN3CC(C(C(C3CO)O)O)O)C4CC4 |
(2R,3R,4R,5S)-1-(6-{[(5M)-3-cyclopropyl-5-(pyridazin-3-yl)phenyl]amino}hexyl)-2-(hydroxymethyl)piperidine-3,4,5-triol |
| 43750 |  UQI |
5 | C22 H24 Cl2 N4 O2 S | InChI=1S/C22H24Cl2N4O2S/c 1-2-15-13-27(14-18-6-3-4- 9-26-18)22(29)21-8-5-7-20 (15)28(21)31(25,30)19-11- 16(23)10-17(24)12-19/h2-4 ,6,9-12,15,20-21,25H,1,5, 7-8,13-14H2/t15-,20+,21-, 31+/m0/s1; CQIWVXGAJXNGRQ-LXYCOFEWSA-N |
C=C[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2[S@@] (=N)(=O)c3cc(cc(c3)Cl)Cl)Cc4ccccn4; Clc1 cc(Cl)cc(c1)[S](=N)(=O)N2[CH]3CCC[CH]2C( =O)N(C[CH]3C=C)Cc4ccccn4; C=CC1CN(C(=O)C 2CCCC1N2S(=N)(=O)c3cc(cc(c3)Cl)Cl)Cc4ccc cn4; Clc1cc(Cl)cc(c1)[S@](=N)(=O)N2[C@@H ]3CCC[C@H]2C(=O)N(C[C@@H]3C=C)Cc4ccccn4 |
(1S,5S,6R)-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one |
| 43751 |  UQJ CHEMBL4564314 ZINC000083255316 |
4 | C6 H7 F2 N3 O | InChI=1S/C6H7F2N3O/c1-11- 2-3(6(9)12)4(10-11)5(7)8/ h2,5H,1H3,(H2,9,12); XNXCINUKGNQCEZ-UHFFFAOYSA-N |
Cn1cc(C(N)=O)c(n1)C(F)F; Cn1cc(c(n1)C(F) F)C(=O)N; NC(=O)c1c(C(F)F)nn(c1)C |
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide |
| 43752 |  UQK |
1 | C6 H9 N O5 | InChI=1S/C6H9NO5/c1-6(2,5 (11)12)7-3(8)4(9)10/h1-2H 3,(H,7,8)(H,9,10)(H,11,12 ); ISTWWSBLMQHYIQ-UHFFFAOYSA-N |
CC(C)(NC(=O)C(O)=O)C(O)=O; CC(C)(C(=O)O) NC(=O)C(=O)O |
N-oxalyl-alpha-methylalanine; 2-(carboxycarbonylamino)-2-methyl-propanoic acid |
| 43753 |  UQL CHEMBL365751 ZINC000028526198 |
1 | C13 H17 Cl N2 | InChI=1S/C13H17ClN2/c1-9- 11(6-7-16(2)3)12-8-10(14) 4-5-13(12)15-9/h4-5,8,15H ,6-7H2,1-3H3; KSYMELKKLOFABL-UHFFFAOYSA-N |
Cc1c(c2cc(ccc2[nH]1)Cl)CCN(C)C; CN(C)CCc 1c(C)[nH]c2ccc(Cl)cc12 |
2-(5-chloranyl-2-methyl-1~{H}-indol-3-yl)-N,N-dimethyl-ethanamine; ST1936 |
| 43754 |  UQM ZINC000013715694 |
4 | C10 H12 N2 O2 | InChI=1S/C10H12N2O2/c1-7( 13)12-9-4-2-8(3-5-9)6-10( 11)14/h2-5H,6H2,1H3,(H2,1 1,14)(H,12,13); LYRQZGCDFPVILB-UHFFFAOYSA-N |
NC(Cc1ccc(NC(C)=O)cc1)=O; CC(=O)Nc1ccc(C C(N)=O)cc1; CC(=O)Nc1ccc(cc1)CC(=O)N |
N-[4-(2-amino-2-oxoethyl)phenyl]acetamide |
| 43755 |  UQN |
1 | C16 H12 Br2 N2 | InChI=1S/C16H12Br2N2/c1-1 1-6-7-12(10-15(11)18)20-9 -8-19-16(20)13-4-2-3-5-14 (13)17/h2-10H,1H3; XGUIZHVZZCDSID-UHFFFAOYSA-N |
Cc1ccc(cc1Br)n2ccnc2c3ccccc3Br | 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole |
| 43756 |  UQO |
2 | C24 H37 N3 O10 S2 | InChI=1S/C24H37N3O10S2/c1 -15(2)12-18(21(29)26-19(2 2(30)39(34,35)36)13-16-10 -11-25-20(16)28)27-23(31) 37-14-24(3,4)38(32,33)17- 8-6-5-7-9-17/h5-9,15-16,1 8-19,22,30H,10-14H2,1-4H3 ,(H,25,28)(H,26,29)(H,27, 31)(H,34,35,36)/t16-,18-, 19-,22-/m0/s1; ATVOVJHWVGHVRU-FUOQNJDISA-N |
CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O) O)NC(=O)OCC(C)(C)S(=O)(=O)c2ccccc2; CC(C )C[CH](NC(=O)OCC(C)(C)[S](=O)(=O)c1ccccc 1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O) (=O)=O; CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H ]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OCC( C)(C)S(=O)(=O)c2ccccc2; CC(C)C[C@H](NC(= O)OCC(C)(C)[S](=O)(=O)c1ccccc1)C(=O)N[C@ @H](C[C@@H]2CCNC2=O)[C@@H](O)[S](O)(=O)= O; CC(C)CC(NC(=O)OCC(C)(C)S(=O)(=O)c1ccc cc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O |
(1S,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
| 43757 |  UQS ZINC000035763759 |
7 | C10 H10 F N3 | InChI=1S/C10H10FN3/c11-10 -4-2-1-3-8(10)5-12-9-6-13 -14-7-9/h1-4,6-7,12H,5H2, (H,13,14); PDSIYANAENEXNZ-UHFFFAOYSA-N |
c1ccc(c(c1)CNc2c[nH]nc2)F; n2ncc(NCc1ccc cc1F)c2; Fc1ccccc1CNc2c[nH]nc2 |
N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine |
| 43758 |  UQV ZINC000034331250 |
1 | C10 H11 N O3 | InChI=1S/C10H11NO3/c1-7(1 2)11-9-5-3-2-4-8(9)6-10(1 3)14/h2-5H,6H2,1H3,(H,11, 12)(H,13,14); BOEMFEOUVXWWNZ-UHFFFAOYSA-N |
CC(=O)Nc1ccccc1CC(=O)O; c1ccc(CC(=O)O)c( NC(C)=O)c1; CC(=O)Nc1ccccc1CC(O)=O |
[2-(acetylamino)phenyl]acetic acid |
| 43759 |  UQW |
1 | C17 H20 N2 O3 | InChI=1S/C17H20N2O3/c1-3- 15(22-16(20)4-2)17(21)18- 10-9-12-11-19-14-8-6-5-7- 13(12)14/h4-8,11,15,19H,2 -3,9-10H2,1H3,(H,18,21)/t 15-/m1/s1; UWYXREXKBLOKIU-OAHLLOKOSA-N |
CC[C@H](C(=O)NCCc1c[nH]c2c1cccc2)OC(=O)C =C; CC[C@@H](OC(=O)C=C)C(=O)NCCc1c[nH]c2 ccccc12; CCC(C(=O)NCCc1c[nH]c2c1cccc2)OC (=O)C=C; CC[CH](OC(=O)C=C)C(=O)NCCc1c[nH ]c2ccccc12 |
[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate; [(2~{R})-1-[2-(1~{H}-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate |
| 43760 |  UQX |
1 | C31 H30 N6 O3 | InChI=1S/C31H30N6O3/c1-18 -6-5-7-19(12-18)13-26(35- 29(38)20-10-11-24-21(14-2 0)16-33-36-24)31(40)37-17 -27-23(15-28(37)30(39)32- 2)22-8-3-4-9-25(22)34-27/ h3-12,14,16,26,28,34H,13, 15,17H2,1-2H3,(H,32,39)(H ,33,36)(H,35,38)/t26-,28- /m1/s1; WOUFYINLHLQZCW-IXCJQBJRSA-N |
CNC(=O)[C@H]1Cc2c(CN1C(=O)[C@@H](Cc3cccc (C)c3)NC(=O)c4ccc5[nH]ncc5c4)[nH]c6ccccc 26; Cc1cccc(c1)CC(C(=O)N2Cc3c(c4ccccc4[n H]3)CC2C(=O)NC)NC(=O)c5ccc6c(c5)cn[nH]6; CNC(=O)[CH]1Cc2c(CN1C(=O)[CH](Cc3cccc(C )c3)NC(=O)c4ccc5[nH]ncc5c4)[nH]c6ccccc26 ; CNC(=O)C1Cc2c3ccccc3[NH]c2CN1C(=O)C(Cc 1cccc(C)c1)NC(=O)c1cc2cn[NH]c2cc1; Cc1cc cc(c1)C[C@H](C(=O)N2Cc3c(c4ccccc4[nH]3)C [C@@H]2C(=O)NC)NC(=O)c5ccc6c(c5)cn[nH]6 |
(3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide |
| 43761 |  UQY ZINC000037869782 |
1 | C7 H14 N2 O | InChI=1S/C7H14N2O/c1-9-7( 6(8)10)4-2-3-5-7/h9H,2-5H 2,1H3,(H2,8,10); OESOTMQEPBMDID-UHFFFAOYSA-N |
CNC1(CCCC1)C(N)=O; CNC1(CCCC1)C(=O)N; NC (=O)C1(CCCC1)NC |
1-(methylamino)cyclopentane-1-carboxamide |
| 43762 |  UQZ |
1 | C22 H24 N2 O5 | InChI=1S/C22H24N2O5/c1-3- 10-24(20(26)4-2)21(16-6-5 -7-17(25)12-16)22(27)23-1 3-15-8-9-18-19(11-15)29-1 4-28-18/h4-9,11-12,21,25H ,2-3,10,13-14H2,1H3,(H,23 ,27)/t21-/m0/s1; BMXUYKHPBOFWRQ-NRFANRHFSA-N |
CCCN([C@@H](c1cccc(c1)O)C(=O)NCc2ccc3c(c 2)OCO3)C(=O)C=C; CCCN([C@H](C(=O)NCc1ccc 2OCOc2c1)c3cccc(O)c3)C(=O)C=C; CCCN(C(c1 cccc(c1)O)C(=O)NCc2ccc3c(c2)OCO3)C(=O)C= C; CCCN([CH](C(=O)NCc1ccc2OCOc2c1)c3cccc (O)c3)C(=O)C=C |
~{N}-[(1~{S})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{N}-propyl-prop-2-enamide |
| 43763 |  UR0 |
2 | C19 H18 O3 | InChI=1S/C19H18O3/c20-17( 10-7-16-8-13-19(22)14-9-1 6)4-2-1-3-15-5-11-18(21)1 2-6-15/h1,3,5-14,21-22H,2 ,4H2/b3-1+,10-7+; DWQICWYCQTTXLU-JKYUJIBQSA-N |
c1cc(ccc1C=CCCC(=O)C=Cc2ccc(cc2)O)O; c1c c(ccc1/C=C/CCC(=O)/C=C/c2ccc(cc2)O)O; Oc 1ccc(C=CCCC(=O)C=Cc2ccc(O)cc2)cc1; Oc1cc c(/C=C/CCC(=O)\C=C\c2ccc(O)cc2)cc1 |
1,7-bis(4-hydroxyphenyl)hepta-1,6-dien-3-one |
| 43764 |  UR1 ZINC000074942597 |
8 | C7 H8 F N O2 S | InChI=1S/C7H8FNO2S/c1-5-2 -6(8)4-7(3-5)12(9,10)11/h 2-4H,1H3,(H2,9,10,11); RMTMZIARFLDIKQ-UHFFFAOYSA-N |
Cc1cc(F)cc(c1)[S](N)(=O)=O; Cc1cc(cc(c1) S(=O)(=O)N)F; c1c(S(N)(=O)=O)cc(C)cc1F |
3-fluoro-5-methylbenzene-1-sulfonamide |
| 43765 |  UR2 CHEMBL420910 DB01773 ZINC000014880066 |
1 | C25 H38 N3 O10 P | InChI=1S/C25H38N3O10P/c1- 27(15-5-8-18-6-3-2-4-7-18 )24(33)21(13-14-22(29)30) 26-25(34)28(17-23(31)32)1 6-19-9-11-20(12-10-19)38- 39(35,36)37/h9-12,18,21H, 2-8,13-17H2,1H3,(H,26,34) (H,29,30)(H,31,32)(H2,35, 36,37)/t21-/m0/s1; JSBQUMXQEBZYPW-NRFANRHFSA-N |
CN(CCCC1CCCCC1)C(=O)[CH](CCC(O)=O)NC(=O) N(CC(O)=O)Cc2ccc(O[P](O)(O)=O)cc2; CN(CC CC1CCCCC1)C(=O)C(CCC(=O)O)NC(=O)N(Cc2ccc (cc2)OP(=O)(O)O)CC(=O)O; CN(CCCC1CCCCC1) C(=O)[C@H](CCC(=O)O)NC(=O)N(Cc2ccc(cc2)O P(=O)(O)O)CC(=O)O; CN(CCCC1CCCCC1)C(=O)[ C@H](CCC(O)=O)NC(=O)N(CC(O)=O)Cc2ccc(O[P ](O)(O)=O)cc2; O=P(O)(O)Oc1ccc(cc1)CN(C( =O)NC(C(=O)N(CCCC2CCCCC2)C)CCC(=O)O)CC(= O)O |
4-[3-CARBOXYMETHYL-3-(4-PHOSPHONOOXY-BENZYL)-UREIDO]-4-[(3-CYCLOHEXYL-PROPYL)-METHYL-CARBAMOYL]BUTYRIC ACID |
| 43766 |  UR3 CHEMBL215940 ZINC000013517711 |
0 | C10 H15 N2 O9 P | InChI=1S/C10H15N2O9P/c1-1 1-6(13)2-3-12(10(11)16)9- 8(15)7(14)5(21-9)4-20-22( 17,18)19/h2-3,5,7-9,14-15 H,4H2,1H3,(H2,17,18,19)/t 5-,7-,8-,9-/m1/s1; KZSHODFDDQCIMT-ZOQUXTDFSA-N |
CN1C(=O)C=CN([C@@H]2O[C@H](CO[P](O)(O)=O )[C@@H](O)[C@H]2O)C1=O; O=P(O)(O)OCC2OC( N1C(=O)N(C(=O)C=C1)C)C(O)C2O; CN1C(=O)C= CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP (=O)(O)O)O)O; CN1C(=O)C=CN([CH]2O[CH](CO [P](O)(O)=O)[CH](O)[CH]2O)C1=O; CN1C(=O) C=CN(C1=O)C2C(C(C(O2)COP(=O)(O)O)O)O |
3-METHYLURIDINE-5'-MONOPHOSHATE |
| 43767 |  UR4 ZINC000000355189 |
2 | C12 H12 N2 O2 S | InChI=1S/C12H12N2O2S/c1-1 6-7-11(15)14-12-13-10(8-1 7-12)9-5-3-2-4-6-9/h2-6,8 H,7H2,1H3,(H,13,14,15); ZSDPCJILFHMGQO-UHFFFAOYSA-N |
COCC(=O)Nc1scc(n1)c2ccccc2; COCC(=O)Nc1n c(cs1)c2ccccc2; n1c(csc1NC(COC)=O)c2cccc c2 |
2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide |
| 43768 |  UR5 CHEMBL133337 ZINC000007992849 |
3 | C6 H8 N2 O4 | InChI=1S/C6H8N2O4/c9-5-2- 1-7-3(6(10)11)4(2)12-8-5/ h2-4,7H,1H2,(H,8,9)(H,10, 11)/t2-,3-,4-/m0/s1; IOOKKDXVJPSSSC-HZLVTQRSSA-N |
C1C2C(C(N1)C(=O)O)ONC2=O; OC(=O)[C@H]1NC [C@H]2[C@@H]1ONC2=O; C1[C@H]2[C@@H]([C@H ](N1)C(=O)O)ONC2=O; OC(=O)[CH]1NC[CH]2[C H]1ONC2=O |
(+)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid; (3~{a}~{S},6~{S},6~{a}~{S})-3-oxidanylidene-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid |
| 43769 |  UR7 ZINC000082503857 |
7 | C8 H10 F N O2 S | InChI=1S/C8H10FNO2S/c1-6- 2-3-7(4-8(6)9)5-13(10,11) 12/h2-4H,5H2,1H3,(H2,10,1 1,12); BRGBJOARAPZJCN-UHFFFAOYSA-N |
Cc1ccc(cc1F)CS(=O)(=O)N; Cc1ccc(C[S](N)( =O)=O)cc1F; c1(cc(F)c(C)cc1)CS(N)(=O)=O |
1-(3-fluoro-4-methylphenyl)methanesulfonamide |
| 43770 |  UR8 ZINC000096330722 |
3 | C6 H8 N2 O4 | InChI=1S/C6H8N2O4/c9-5-2- 1-7-3(6(10)11)4(2)12-8-5/ h2-4,7H,1H2,(H,8,9)(H,10, 11)/t2-,3-,4-/m1/s1; IOOKKDXVJPSSSC-BXXZVTAOSA-N |
C1[C@@H]2[C@H]([C@@H](N1)C(=O)O)ONC2=O; OC(=O)[C@@H]1NC[C@@H]2[C@H]1ONC2=O; C1C2 C(C(N1)C(=O)O)ONC2=O; OC(=O)[CH]1NC[CH]2 [CH]1ONC2=O |
(-)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid; (3~{a}~{R},6~{R},6~{a}~{R})-3-oxidanylidene-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid |
| 43771 |  UR9 CHEMBL589586 DB14219 ZINC000004416885 |
1 | C5 H6 O4 | InChI=1S/C5H6O4/c1-9-5(8) 3-2-4(6)7/h2-3H,1H3,(H,6, 7)/b3-2+; NKHAVTQWNUWKEO-NSCUHMNNSA-N |
COC(=O)C=CC(=O)O; COC(=O)/C=C/C(=O)O; CO C(=O)\C=C\C(O)=O; COC(=O)C=CC(O)=O |
Monomethyl fumarate; (E)-4-methoxy-4-oxidanylidene-but-2-enoic acid |
| 43772 |  URA CHEMBL566 DB03419 ZINC000000895045 |
185 | C4 H4 N2 O2 | InChI=1S/C4H4N2O2/c7-3-1- 2-5-4(8)6-3/h1-2H,(H2,5,6 ,7,8); ISAKRJDGNUQOIC-UHFFFAOYSA-N |
O=C1NC=CC(=O)N1; O=C1C=CNC(=O)N1; C1=CNC (=O)NC1=O |
URACIL |
| 43773 |  URB CHEMBL144730 ZINC000000967318 |
1 | C4 H3 Br N2 O2 | InChI=1S/C4H3BrN2O2/c5-2- 1-6-4(9)7-3(2)8/h1H,(H2,6 ,7,8,9); LQLQRFGHAALLLE-UHFFFAOYSA-N |
BrC1=CNC(=O)NC1=O; C1=C(C(=O)NC(=O)N1)Br | 5-bromopyrimidine-2,4(1H,3H)-dione; 5-bromouracil |
| 43774 |  URC CHEMBL792 DB08844 ZINC000002041003 |
75 | C5 H4 N4 O3 | InChI=1S/C5H4N4O3/c10-3-1 -2(7-4(11)6-1)8-5(12)9-3/ h(H4,6,7,8,9,10,11,12); LEHOTFFKMJEONL-UHFFFAOYSA-N |
O=C1NC(=O)C2=C(N1)NC(=O)N2; C12=C(NC(=O) N1)NC(=O)NC2=O; O=C1C2=C(NC(=O)N1)NC(=O) N2 |
URIC ACID; 7,9-DIHYDRO-1H-PURINE-2,6,8(3H)-TRIONE |
| 43775 |  URD |
8 | C10 H13 N O6 | InChI=1S/C10H13NO6/c12-4- 6-8(15)9(16)10(17-6)11-2- 1-5(13)3-7(11)14/h1-2,6,8 -10,12,15-16H,3-4H2/t6-,8 -,9-,10-/m1/s1; WIRVQQCUKDPURA-PEBGCTIMSA-N |
C1C(=O)C=CN(C1=O)C2C(C(C(O2)CO)O)O; C1C( =O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O 2)CO)O)O; O=C1C=CN(C(=O)C1)C2OC(C(O)C2O) CO; OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O )CC2=O; OC[C@H]1O[C@H]([C@H](O)[C@@H]1O) N2C=CC(=O)CC2=O |
1-((2R,3R,4S,5R)-TETRAHYDRO-3,4-DIHYDROXY-5-(HYDROXYMETHYL)FURAN-2-YL)PYRIDINE-2,4(1H,3H)-DIONE; 3-DEAZAURIDINE |
| 43776 |  URE CHEMBL985 DB03904 ZINC000008214514 |
64 | C H4 N2 O | InChI=1S/CH4N2O/c2-1(3)4/ h(H4,2,3,4); XSQUKJJJFZCRTK-UHFFFAOYSA-N |
C(=O)(N)N; NC(N)=O; O=C(N)N | UREA |
| 43777 |  URF CHEMBL185 DB00544 ZINC000038212689 |
63 | C4 H3 F N2 O2 | InChI=1S/C4H3FN2O2/c5-2-1 -6-4(9)7-3(2)8/h1H,(H2,6, 7,8,9); GHASVSINZRGABV-UHFFFAOYSA-N |
C1=C(C(=O)NC(=O)N1)F; FC1=CNC(=O)NC1=O | 5-FLUOROURACIL |
| 43778 |  URH |
1 | C21 H18 N2 O4 S | InChI=1S/C21H18N2O4S/c22- 28(26,27)19-12-10-18(11-1 3-19)21(25)23-14-15-6-8-1 7(9-7-15)20(24)16-4-2-1-3 -5-16/h1-13H,14H2,(H,23,2 5)(H2,22,26,27); DCTGUISEDAHGJU-UHFFFAOYSA-N |
c1ccc(cc1)C(=O)c2ccc(cc2)CNC(=O)c3ccc(cc 3)S(=O)(=O)N; N[S](=O)(=O)c1ccc(cc1)C(=O )NCc2ccc(cc2)C(=O)c3ccccc3 |
~{N}-[[4-(phenylcarbonyl)phenyl]methyl]-4-sulfamoyl-benzamide |
| 43779 |  URI CHEMBL100259 DB02745 ZINC000002583633 |
137 | C9 H12 N2 O6 | InChI=1S/C9H12N2O6/c12-3- 4-6(14)7(15)8(17-4)11-2-1 -5(13)10-9(11)16/h1-2,4,6 -8,12,14-15H,3H2,(H,10,13 ,16)/t4-,6-,7-,8-/m1/s1; DRTQHJPVMGBUCF-XVFCMESISA-N |
OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2 =O; C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H] ([C@H](O2)CO)O)O; O=C1NC(=O)N(C=C1)C2OC( C(O)C2O)CO; C1=CN(C(=O)NC1=O)C2C(C(C(O2) CO)O)O; OC[C@H]1O[C@H]([C@H](O)[C@@H]1O) N2C=CC(=O)NC2=O |
URIDINE |
| 43780 |  URJ CHEMBL4859249 |
2 | C23 H22 F N5 O | InChI=1S/C23H22FN5O/c1-15 -25-13-10-21(26-15)29-14- 2-3-18-19(29)8-9-20(27-18 )23(11-12-23)28-22(30)16- 4-6-17(24)7-5-16/h4-10,13 H,2-3,11-12,14H2,1H3,(H,2 8,30); KKAMMYSFTPLTDH-UHFFFAOYSA-N |
c5(ccc(C(=O)NC1(CC1)c2ccc3c(n2)CCCN3c4cc nc(n4)C)cc5)F; Cc1nccc(n1)N2CCCc3c2ccc(n 3)C4(CC4)NC(=O)c5ccc(cc5)F; Cc1nccc(n1)N 2CCCc3nc(ccc23)C4(CC4)NC(=O)c5ccc(F)cc5 |
4-fluoro-N-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide |
| 43781 |  URK |
1 | C20 H20 N2 O7 | InChI=1S/C20H20N2O7/c1-4- 17(23)29-19(13-8-10-15(11 -9-13)22(25)26)20(24)21-1 2-14-6-5-7-16(27-2)18(14) 28-3/h4-11,19H,1,12H2,2-3 H3,(H,21,24)/t19-/m0/s1; KRUSHXMEHBIKCV-IBGZPJMESA-N |
COc1cccc(c1OC)CNC(=O)[C@H](c2ccc(cc2)[N+ ](=O)[O-])OC(=O)C=C; COc1cccc(CNC(=O)[CH ](OC(=O)C=C)c2ccc(cc2)[N+]([O-])=O)c1OC; COc1cccc(c1OC)CNC(=O)C(c2ccc(cc2)[N+](= O)[O-])OC(=O)C=C; COc1cccc(CNC(=O)[C@@H] (OC(=O)C=C)c2ccc(cc2)[N+]([O-])=O)c1OC |
[(1S)-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate; [(1~{S})-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate; FSP006 |
| 43782 |  URL |
0 | C7 H16 N2 O2 | InChI=1S/C7H16N2O2/c1-5(2 )3-6(8)4-9-7(10)11/h5-6,9 H,3-4,8H2,1-2H3,(H,10,11) /t6-/m0/s1; MUXHOSWJKVCQIF-LURJTMIESA-N |
CC(C)CC(CNC(=O)O)N; CC(C)C[C@@H](CNC(=O) O)N; CC(C)C[C@H](N)CNC(O)=O; CC(C)C[CH]( N)CNC(O)=O |
[(2~{S})-2-azanyl-4-methyl-pentyl]carbamic acid |
| 43783 |  URM ZINC000064436301 |
7 | C16 H26 N2 O16 P2 | InChI=1S/C16H26N2O16P2/c1 9-3-6-10(21)13(24)12(23)8 (32-6)5-35(27,28)34-36(29 ,30)31-4-7-11(22)14(25)15 (33-7)18-2-1-9(20)17-16(1 8)26/h1-2,6-8,10-15,19,21 -25H,3-5H2,(H,27,28)(H,29 ,30)(H,17,20,26)/t6-,7-,8 -,10+,11-,12+,13+,14-,15- /m1/s1; WUPLBUVQIJIOHV-PPSAJGQHSA-N |
OC[CH]1O[CH](C[P](O)(=O)O[P](O)(=O)OC[CH ]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[C H](O)[CH](O)[CH]1O; OC[C@H]1O[C@H](C[P]( O)(=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O) [C@@H]2O)N3C=CC(=O)NC3=O)[C@H](O)[C@@H]( O)[C@H]1O; C1=CN(C(=O)NC1=O)C2C(C(C(O2)C OP(=O)(O)OP(=O)(CC3C(C(C(C(O3)CO)O)O)O)O )O)O; C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@ H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(C[C @@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O) O)O)O)O |
(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)methyl)phosphonic (((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride; Uridine diphospho methylene galactopyranose |
| 43784 |  URN CHEMBL34076 DB03826 ZINC000001666585 |
7 | C4 H6 N4 O2 | InChI=1S/C4H6N4O2/c5-1-2( 6)7-4(10)8-3(1)9/h5H2,(H4 ,6,7,8,9,10); BBTNLADSUVOPPN-UHFFFAOYSA-N |
O=C1NC(N)=C(N)C(=O)N1; NC1=C(N)C(=O)NC(= O)N1; C1(=C(NC(=O)NC1=O)N)N |
5,6-DIAMINOPYRIMIDINE-2,4(1H,3H)-DIONE; 5,6-DIAMINOURACIL |
| 43785 |  URO CHEMBL1236602 DB01971 ZINC000034633903 |
6 | C6 H6 N2 O2 | InChI=1S/C6H6N2O2/c9-6(10 )2-1-5-3-7-4-8-5/h1-4H,(H ,7,8)(H,9,10)/b2-1+; LOIYMIARKYCTBW-OWOJBTEDSA-N |
OC(=O)C=Cc1c[nH]cn1; O=C(O)\C=C\c1ncnc1; OC(=O)\C=C\c1c[nH]cn1; c1c(nc[nH]1)C=CC (=O)O |
(2E)-3-(1H-IMIDAZOL-4-YL)ACRYLIC ACID |
| 43786 |  URP CHEMBL20962 ZINC000082071923 |
26 | C4 H8 N2 O3 | InChI=1S/C4H8N2O3/c5-4(9) 6-2-1-3(7)8/h1-2H2,(H,7,8 )(H3,5,6,9); JSJWCHRYRHKBBW-UHFFFAOYSA-N |
O=C(O)CCNC(=O)N; C(CNC(=O)N)C(=O)O; NC(= O)NCCC(O)=O |
N-(AMINOCARBONYL)-BETA-ALANINE; N-CARBAMYL-BETA-ALANINE; BETA-UREIDOPROPIONATE |
| 43787 |  URQ ZINC000094437770 |
1 | C5 H10 N2 O3 | InChI=1S/C5H10N2O3/c1-3(4 (8)9)2-7-5(6)10/h3H,2H2,1 H3,(H,8,9)(H3,6,7,10)/t3- /m0/s1; PHENTZNALBMCQD-VKHMYHEASA-N |
C[CH](CNC(N)=O)C(O)=O; O=C(NCC(C(=O)O)C) N; CC(CNC(=O)N)C(=O)O; C[C@@H](CNC(=O)N) C(=O)O; C[C@@H](CNC(N)=O)C(O)=O |
(2S)-3-(carbamoylamino)-2-methylpropanoic acid |
| 43788 |  URR |
4 | C24 H37 N3 O9 S2 | InChI=1S/C24H37N3O9S2/c1- 15(2)12-18(27-23(31)36-14 -24(3,4)37(32)17-8-6-5-7- 9-17)21(29)26-19(22(30)38 (33,34)35)13-16-10-11-25- 20(16)28/h5-9,15-16,18-19 ,22,30H,10-14H2,1-4H3,(H, 25,28)(H,26,29)(H,27,31)( H,33,34,35)/t16-,18-,19-, 22-,37?/m0/s1; SNFBJKJTJOFDKW-JGGWQLOYSA-N |
CC(C)C[CH](NC(=O)OCC(C)(C)[S](=O)c1ccccc 1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O) (=O)=O; CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S (=O)(=O)O)NC(=O)OCC(C)(C)S(=O)c2ccccc2; CC(C)C[C@H](NC(=O)OCC(C)(C)[S](=O)c1cccc c1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](O )[S](O)(=O)=O; CC(C)C[C@@H](C(=O)N[C@@H] (C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC( =O)OCC(C)(C)S(=O)c2ccccc2; CC(C)CC(NC(=O )OCC(C)(C)S(=O)c1ccccc1)C(=O)NC(CC1CCNC1 =O)C(O)S(=O)(=O)O |
N~2~-(ethoxycarbonyl)-N-{(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide |
| 43789 |  URS CHEMBL263376 DB03694 ZINC000003875720 |
11 | C7 H8 N2 S | InChI=1S/C7H8N2S/c8-7(10) 9-6-4-2-1-3-5-6/h1-5H,(H3 ,8,9,10); FULZLIGZKMKICU-UHFFFAOYSA-N |
NC(=S)Nc1ccccc1; S=C(Nc1ccccc1)N; c1ccc( cc1)NC(=S)N |
N-PHENYLTHIOUREA |
| 43790 |  URT CHEMBL252036 ZINC000029039067 |
0 | C10 H11 F N5 O5 P | InChI=1S/C10H11FN5O5P/c11 -5-1-6(20-4-22(17,18)19)2 1-10(5)16-3-15-7-8(12)13- 2-14-9(7)16/h1-3,6,10H,4H 2,(H2,12,13,14)(H2,17,18, 19)/t6-,10+/m0/s1; MPSGQQOHTJUJKB-QUBYGPBYSA-N |
Nc1ncnc2n(cnc12)[CH]3O[CH](OC[P](O)(O)=O )C=C3F; c1nc(c2c(n1)n(cn2)[C@H]3C(=C[C@H ](O3)OCP(=O)(O)O)F)N; c1nc(c2c(n1)n(cn2) C3C(=CC(O3)OCP(=O)(O)O)F)N; Nc1ncnc2n(cn c12)[C@@H]3O[C@H](OC[P](O)(O)=O)C=C3F |
({[(2R,5R)-5-(6-amino-9H-purin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxy}methyl)phosphonic acid |
| 43791 |  URU ZINC000098209510 |
0 | C20 H26 N5 O14 P | InChI=1S/C20H26N5O14P/c26 -11-1-3-24(19(32)22-11)17 -14(29)8(10(39-17)7-37-40 (34,35)36)5-13(28)21-6-9- 15(30)16(31)18(38-9)25-4- 2-12(27)23-20(25)33/h1-4, 8-10,14-18,29-31H,5-7H2,( H,21,28)(H,22,26,32)(H,23 ,27,33)(H2,34,35,36)/t8-, 9-,10-,14-,15-,16-,17-,18 -/m1/s1; WKTKVGCYUSOTBH-VKGBBMGNSA-N |
O=P(O)(O)OCC2OC(N1C=CC(=O)NC1=O)C(O)C2CC (=O)NCC4OC(N3C(=O)NC(=O)C=C3)C(O)C4O; C1 =CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)CC (=O)NCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O; C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@ H](O2)COP(=O)(O)O)CC(=O)NC[C@@H]3[C@H]([ C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O; O[ CH]1[CH](O)[CH](O[CH]1CNC(=O)C[CH]2[CH]( O)[CH](O[CH]2CO[P](O)(O)=O)N3C=CC(=O)NC3 =O)N4C=CC(=O)NC4=O; O[C@H]1[C@@H](O)[C@@ H](O[C@@H]1CNC(=O)C[C@H]2[C@@H](O)[C@@H] (O[C@@H]2CO[P](O)(O)=O)N3C=CC(=O)NC3=O)N 4C=CC(=O)NC4=O |
|
| 43792 |  URV |
0 | C6 H14 N2 O2 | InChI=1S/C6H14N2O2/c1-4(2 )5(7)3-8-6(9)10/h4-5,8H,3 ,7H2,1-2H3,(H,9,10)/t5-/m 1/s1; UNYZFPNKGAAKMS-RXMQYKEDSA-N |
CC(C)[C@@H](CNC(=O)O)N; CC(C)C(CNC(=O)O) N; CC(C)[CH](N)CNC(O)=O; CC(C)[C@H](N)CN C(O)=O |
[(2~{S})-2-azanyl-3-methyl-butyl]carbamic acid |
| 43793 |  URW |
1 | C26 H24 F2 N6 O5 | InChI=1S/C26H24F2N6O5/c1- 14(23(36)30-2)34(13-17-5- 3-4-6-20(17)39-26(27)28)2 4(37)19-10-31-22(32-19)25 (38)33-11-16-8-7-15(21(29 )35)9-18(16)12-33/h3-12,1 4,26H,13H2,1-2H3,(H2,29,3 5)(H,30,36)(H,31,32)/t14- /m1/s1; QTSQRRSNHSLXPH-CQSZACIVSA-N |
CNC(=O)[C@@H](C)N(Cc1ccccc1OC(F)F)C(=O)c 2[nH]c(nc2)C(=O)n3cc4ccc(cc4c3)C(N)=O; C [C@H](C(=O)NC)N(Cc1ccccc1OC(F)F)C(=O)c2c nc([nH]2)C(=O)n3cc4ccc(cc4c3)C(=O)N; CNC (=O)[CH](C)N(Cc1ccccc1OC(F)F)C(=O)c2[nH] c(nc2)C(=O)n3cc4ccc(cc4c3)C(N)=O; CC(C(= O)NC)N(Cc1ccccc1OC(F)F)C(=O)c2cnc([nH]2) C(=O)n3cc4ccc(cc4c3)C(=O)N |
2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{R})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{H}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide |
| 43794 |  URX ZINC000064436734 |
0 | C12 H17 N2 O8 P | InChI=1S/C12H17N2O8P/c1-6 -4-12(5-21-23(18,19)20)9( 16)8(6)10(22-12)14-3-2-7( 15)13-11(14)17/h2-3,6,8-1 0,16H,4-5H2,1H3,(H,13,15, 17)(H2,18,19,20)/t6-,8-,9 +,10-,12-/m1/s1; BIKPERMTZJFCSY-VOLLVAIWSA-N |
C[CH]1C[C]2(CO[P](O)(O)=O)O[CH]([CH]1[CH ]2O)N3C=CC(=O)NC3=O; C[C@@H]1C[C@]2(CO[P ](O)(O)=O)O[C@H]([C@H]1[C@@H]2O)N3C=CC(= O)NC3=O; CC1CC2(C(C1C(O2)N3C=CC(=O)NC3=O )O)COP(=O)(O)O; C[C@@H]1C[C@]2([C@H]([C@ @H]1[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)( O)O; O=P(O)(O)OCC23OC(N1C(=O)NC(=O)C=C1) C(C(C2)C)C3O |
[(1R,3R,4R,5R,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate |
| 43795 |  URY CHEMBL3188597 |
0 | C22 H23 N5 O2 | InChI=1S/C22H23N5O2/c28-2 1(29)8-12-24-19-15-20(26- 22(25-19)18-7-3-4-11-23-1 8)27-13-9-16-5-1-2-6-17(1 6)10-14-27/h1-7,11,15H,8- 10,12-14H2,(H,28,29)(H,24 ,25,26); AVZCPICCWKMZDT-UHFFFAOYSA-N |
OC(=O)CCNc1cc(nc(n1)c2ccccn2)N3CCc4ccccc 4CC3; C(O)(=O)CCNc3nc(nc(N2CCc1ccccc1CC2 )c3)c4ncccc4; c1ccc2c(c1)CCN(CC2)c3cc(nc (n3)c4ccccn4)NCCC(=O)O |
3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid |
| 43796 |  US0 CHEMBL5724716 |
1 | C16 H17 F2 N5 O2 | InChI=1S/C16H17F2N5O2/c17 -10-5-9(6-11(18)7-10)15(2 4)22-13-8-20-23-14(13)16( 25)21-12-1-3-19-4-2-12/h5 -8,12,19H,1-4H2,(H,20,23) (H,21,25)(H,22,24); NIHAFOURWLZLFN-UHFFFAOYSA-N |
c1c(cc(cc1F)F)C(=O)Nc2c[nH]nc2C(=O)NC3CC NCC3; Fc1cc(F)cc(c1)C(=O)Nc2c[nH]nc2C(=O )NC3CCNCC3 |
4-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-~{N}-piperidin-4-yl-1~{H}-pyrazole-3-carboxamide |
| 43797 |  US1 ZINC000058649559 |
0 | C9 H13 N2 O7 P S | InChI=1S/C9H13N2O7PS/c12- 7-1-2-11(9(13)10-7)8-3-6( 20)5(18-8)4-17-19(14,15)1 6/h1-2,5-6,8,20H,3-4H2,(H ,10,12,13)(H2,14,15,16)/t 5-,6+,8-/m1/s1; ITHXZXHCSXJEIA-GKROBHDKSA-N |
C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO P(=O)(O)O)S; O[P](O)(=O)OC[CH]1O[CH](C[C H]1S)N2C=CC(=O)NC2=O; O=C1NC(=O)N(C=C1)C 2OC(C(S)C2)COP(=O)(O)O; C1C(C(OC1N2C=CC( =O)NC2=O)COP(=O)(O)O)S; O[P](O)(=O)OC[C@ H]1O[C@H](C[C@@H]1S)N2C=CC(=O)NC2=O |
2'-DEOXY-3'-THIOURIDINE 5'-(DIHYDROGEN PHOSPHATE) |
| 43798 |  US2 ZINC000058649560 |
0 | C10 H15 N2 O8 P S | InChI=1S/C10H15N2O8PS/c1- 22-7-3-12(10(15)11-9(7)14 )8-2-5(13)6(20-8)4-19-21( 16,17)18/h3,5-6,8,13H,2,4 H2,1H3,(H,11,14,15)(H2,16 ,17,18)/t5-,6+,8+/m0/s1; BUQRVGJBJMBTPN-SHYZEUOFSA-N |
CSC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O) O2)C(=O)NC1=O; CSC1=CN(C(=O)NC1=O)[C@H]2 C[C@@H]([C@H](O2)COP(=O)(O)O)O; CSC1=CN( C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O; O=C1 NC(=O)N(C=C1SC)C2OC(C(O)C2)COP(=O)(O)O; CSC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O )=O)O2)C(=O)NC1=O |
2'-deoxy-5-(methylsulfanyl)uridine 5'-(dihydrogen phosphate); 5-SMe-deoxyuridine-5'-phosphate |
| 43799 |  US3 |
0 | C10 H15 N2 O7 P Se | InChI=1S/C10H15N2O7PSe/c1 -5-3-12(10(21)11-9(5)14)8 -2-6(13)7(19-8)4-18-20(15 ,16)17/h3,6-8,13H,2,4H2,1 H3,(H,11,14,21)(H2,15,16, 17)/t6-,7+,8+/m0/s1; NJOAZAGHIQNDNL-XLPZGREQSA-N |
CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O) =O)O2)C(=NC1=O)[SeH]; CC1=CN(C(=NC1=O)[S eH])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O ; CC1=CN(C(=NC1=O)[SeH])C2CC(C(O2)COP(=O )(O)O)O; CC1=CN([CH]2C[CH](O)[CH](CO[P]( O)(O)=O)O2)C(=NC1=O)[SeH]; O=P(O)(O)OCC2 OC(N1C(=NC(=O)C(=C1)C)[SeH])CC2O |
1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methyl-2-selanylpyrimidin-4(1H)-one; 2-Se-Thymidine-5'-phosphate |
| 43800 |  US4 ZINC000058649563 |
0 | C21 H28 N7 O11 P | InChI=1S/C21H28N7O11P/c1- 10-4-27(21(31)26-20(10)30 )16-3-12(14(39-16)6-37-40 (32,33)34)36-9-35-5-13-11 (29)2-15(38-13)28-8-25-17 -18(22)23-7-24-19(17)28/h 4,7-8,11-16,29H,2-3,5-6,9 H2,1H3,(H2,22,23,24)(H,26 ,30,31)(H2,32,33,34)/t11- ,12-,13+,14+,15+,16+/m0/s 1; KEPSJDYQWMTMPP-KPRKPIBOSA-N |
CC1=CN([C@H]2C[C@H](OCOC[C@H]3O[C@H](C[C @@H]3O)n4cnc5c(N)ncnc45)[C@@H](CO[P](O)( O)=O)O2)C(=O)NC1=O; O=C1C(=CN(C(=O)N1)C5 OC(COP(=O)(O)O)C(OCOCC4OC(n3cnc2c(ncnc23 )N)CC4O)C5)C; CC1=CN(C(=O)NC1=O)[C@H]2C[ C@@H]([C@H](O2)COP(=O)(O)O)OCOC[C@@H]3[C @H](C[C@@H](O3)n4cnc5c4ncnc5N)O; CC1=CN( [CH]2C[CH](OCOC[CH]3O[CH](C[CH]3O)n4cnc5 c(N)ncnc45)[CH](CO[P](O)(O)=O)O2)C(=O)NC 1=O; CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O) (O)O)OCOCC3C(CC(O3)n4cnc5c4ncnc5N)O |
[(2R,3S,5R)-3-({[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methoxy}methoxy)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate |