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Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 36601 |  P18 ZINC000016887440 |
1 | C9 H10 O2 | InChI=1S/C9H10O2/c10-7-6- 9(11)8-4-2-1-3-5-8/h1-5,1 0H,6-7H2; PQCFUZMQHVIOSM-UHFFFAOYSA-N |
c1ccc(cc1)C(=O)CCO; O=C(c1ccccc1)CCO; OC CC(=O)c1ccccc1 |
3-hydroxy-1-phenylpropan-1-one |
| 36602 |  P19 CHEMBL231095 DB08340 ZINC000016052396 |
1 | C17 H14 N6 | InChI=1S/C17H14N6/c1-3-7- 13(8-4-1)19-16-21-15-11-1 2-18-23(15)17(22-16)20-14 -9-5-2-6-10-14/h1-12H,(H2 ,19,20,21,22); LLYYAUZAGCZEKV-UHFFFAOYSA-N |
N(c1ccccc1)c2nc(Nc3ccccc3)n4nccc4n2; n2c 1ccnn1c(nc2Nc3ccccc3)Nc4ccccc4; c1ccc(cc 1)Nc2nc3ccnn3c(n2)Nc4ccccc4 |
N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE |
| 36603 |  P1A CHEMBL549789 ZINC000004097822 |
8 | C27 H44 O6 | InChI=1S/C27H44O6/c1-15(2 )6-7-23(31)26(5,32)22-9-1 1-27(33)17-12-19(28)18-13 -20(29)21(30)14-24(18,3)1 6(17)8-10-25(22,27)4/h12, 15-16,18,20-23,29-33H,6-1 1,13-14H2,1-5H3/t16-,18-, 20+,21-,22-,23+,24+,25+,2 6+,27+/m0/s1; PJYYBCXMCWDUAZ-JJJZTNILSA-N |
CC(C)CCC(C(C)(C1CCC2(C1(CCC3C2=CC(=O)C4C 3(CC(C(C4)O)O)C)C)O)O)O; CC(C)CC[C@H]([C @@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2= CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O )C)C)O)O)O; CC(C)CC[CH](O)[C](C)(O)[CH]1 CC[C]2(O)C3=CC(=O)[CH]4C[CH](O)[CH](O)C[ C]4(C)[CH]3CC[C]12C; O=C1C=C3C(C2(CC(O)C (O)CC12)C)CCC4(C)C(C(O)(C)C(O)CCC(C)C)CC C34O; CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC [C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H ](O)C[C@]4(C)[C@H]3CC[C@]12C |
2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE; PONASTERONE A; 25-DEOXYECDYSTERONE; 25-DEOXY-20-HYDROXYECDYSONE, |
| 36604 |  P1B CHEMBL5817272 ZINC000000968327 |
5 | C19 H20 N2 O3 S | InChI=1S/C19H20N2O3S/c1-2 -13-3-6-15(20-12-13)9-10- 24-16-7-4-14(5-8-16)11-17 -18(22)21-19(23)25-17/h3- 8,12,17H,2,9-11H2,1H3,(H, 21,22,23)/t17-/m1/s1; HYAFETHFCAUJAY-QGZVFWFLSA-N |
CCc1ccc(nc1)CCOc2ccc(cc2)C[C@@H]3C(=O)NC (=O)S3; CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC 3=O)cc2)nc1; O=C1NC(=O)SC1Cc3ccc(OCCc2nc c(cc2)CC)cc3; CCc1ccc(nc1)CCOc2ccc(cc2)C C3C(=O)NC(=O)S3; CCc1ccc(CCOc2ccc(C[CH]3 SC(=O)NC3=O)cc2)nc1 |
(5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione; PIOGLITAZONE |
| 36605 |  P1C DB03938 |
2 | C14 H19 N3 O6 S | InChI=1S/C14H19N3O6S/c1-6 -5-24-12-9(11(19)17(12)10 (6)14(22)23)16-8(18)4-2-3 -7(15)13(20)21/h7,9,12H,2 -5,15H2,1H3,(H,16,18)(H,2 0,21)(H,22,23)/t7-,9-,12- /m1/s1; NNQIJOYQWYKBOW-JWKOBGCHSA-N |
CC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)O)N)SC1 )C(=O)O; CC1=C(N2[C@@H]([C@@H](C2=O)NC(= O)CCC[C@H](C(=O)O)N)SC1)C(=O)O; O=C2N1C( =C(CSC1C2NC(=O)CCCC(C(=O)O)N)C)C(=O)O; C C1=C(N2[CH](SC1)[CH](NC(=O)CCC[CH](N)C(O )=O)C2=O)C(O)=O; CC1=C(N2[C@H](SC1)[C@H] (NC(=O)CCC[C@@H](N)C(O)=O)C2=O)C(O)=O |
DEACETOXYCEPHALOSPORIN-C |
| 36606 |  P1D DB04753 ZINC000012504494 |
1 | C13 H16 N3 O8 P | InChI=1S/C13H16N3O8P/c17- 2-6-11-12(24-7(23-11)3-25 (19,20)21)10(22-6)5-1-14- 9-8(5)15-4-16-13(9)18/h1, 4,6-7,10-12,14,17H,2-3H2, (H,15,16,18)(H2,19,20,21) /t6-,7-,10+,11-,12+/m1/s1; ZOEDLCUBOBTIHG-USQSKNHBSA-N |
OC[CH]1O[CH]([CH]2O[CH](C[P](O)(O)=O)O[C H]12)c3c[nH]c4C(=O)NC=Nc34; O=C1NC=Nc2c1 ncc2C3OC(C4OC(OC34)CP(=O)(O)O)CO; c1c(c2 c([nH]1)C(=O)NC=N2)C3C4C(C(O3)CO)OC(O4)C P(=O)(O)O; c1c(c2c([nH]1)C(=O)NC=N2)[C@H ]3[C@H]4[C@@H]([C@H](O3)CO)O[C@H](O4)CP( =O)(O)O; OC[C@H]1O[C@H]([C@@H]2O[C@H](C[ P](O)(O)=O)O[C@H]12)c3c[nH]c4C(=O)NC=Nc3 4 |
((2S,3AS,4R,6S)-4-(HYDROXYMETHYL)-6-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-TETRAHYDROFURO[3,4-D][1,3]DIOXO L-2-YL)METHYLPHOSPHONIC ACID; 9-DEAZAINOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE |
| 36607 |  P1E CHEMBL509485 DB08341 ZINC000040847257 |
5 | C19 H25 F3 N6 O2 S | InChI=1S/C19H25F3N6O2S/c1 -23-31(29,30)13-9-7-12(8- 10-13)25-18-24-11-14(19(2 0,21)22)17(27-18)26-15-5- 4-6-16(15)28(2)3/h7-11,15 -16,23H,4-6H2,1-3H3,(H2,2 4,25,26,27)/t15-,16-/m1/s 1; CAUFYHKGKDJMQG-HZPDHXFCSA-N |
CN[S](=O)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[ C@H]3N(C)C)n2)C(F)(F)F)cc1; O=S(=O)(NC)c 1ccc(cc1)Nc2nc(c(cn2)C(F)(F)F)NC3CCCC3N( C)C; CNS(=O)(=O)c1ccc(cc1)Nc2ncc(c(n2)NC 3CCCC3N(C)C)C(F)(F)F; CNS(=O)(=O)c1ccc(c c1)Nc2ncc(c(n2)N[C@@H]3CCC[C@H]3N(C)C)C( F)(F)F; CN[S](=O)(=O)c1ccc(Nc2ncc(c(N[CH ]3CCC[CH]3N(C)C)n2)C(F)(F)F)cc1 |
4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide |
| 36608 |  P1F CHEMBL264434 ZINC000029049928 |
8 | C18 H23 N O2 | InChI=1S/C18H23NO2/c1-2-3 -4-5-8-14-11-12-18(16(20) 13-14)21-17-10-7-6-9-15(1 7)19/h6-7,9-13,20H,2-5,8, 19H2,1H3; UGZFBZMADDXZRA-UHFFFAOYSA-N |
CCCCCCc1ccc(c(c1)O)Oc2ccccc2N; CCCCCCc1c cc(Oc2ccccc2N)c(O)c1; O(c1c(N)cccc1)c2cc c(cc2O)CCCCCC |
2-(2-azanylphenoxy)-5-hexyl-phenol |
| 36609 |  P1G DB04754 ZINC000012504495 |
1 | C12 H16 N5 O8 P | InChI=1S/C12H16N5O8P/c13- 12-15-9-6(10(19)16-12)14- 3-17(9)11-8-7(4(1-18)23-1 1)24-5(25-8)2-26(20,21)22 /h3-5,7-8,11,18H,1-2H2,(H 2,20,21,22)(H3,13,15,16,1 9)/t4-,5-,7-,8-,11-/m1/s1; HYAPEMYRVFIHDJ-QWEIRQIHSA-N |
NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH]4 O[CH](C[P](O)(O)=O)O[CH]34; NC1=Nc2n(cnc 2C(=O)N1)[C@@H]3O[C@H](CO)[C@H]4O[C@@H]( C[P](O)(O)=O)O[C@@H]34; c1nc2c(n1C3C4C(C (O3)CO)OC(O4)CP(=O)(O)O)N=C(NC2=O)N; c1n c2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[C @H](O4)CP(=O)(O)O)N=C(NC2=O)N; O=C4NC(=N c1c4ncn1C3OC(C2OC(OC23)CP(=O)(O)O)CO)N |
((2R,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-6-(HYDROXYMETHYL)-TETRAHYDROFURO[3,4-D][1,3]DIOXOL-2-YL)METHYLPHOSPHONIC ACID; GUANOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE |
| 36610 |  P1H ZINC000087515347 |
4 | C30 H38 N8 O15 P2 | InChI=1S/C30H38N8O15P2/c1 -2-3-15-8-14(4-6-33-15)21 (39)16-5-7-37(9-17(16)27( 32)44)29-24(42)22(40)18(5 1-29)10-49-54(45,46)53-55 (47,48)50-11-19-23(41)25( 43)30(52-19)38-13-36-20-2 6(31)34-12-35-28(20)38/h4 -9,12-13,16,18-19,22-25,2 9-30,40-43H,2-3,10-11H2,1 H3,(H2,32,44)(H,45,46)(H, 47,48)(H2,31,34,35)/t16-, 18+,19+,22+,23+,24+,25+,2 9+,30+/m0/s1; INZZWAGIWIYXKO-NNTKUHMYSA-N |
CCCc1cc(ccn1)C(=O)[CH]2C=CN(C=C2C(N)=O)[ CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4 O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH ](O)[CH]3O; CCCc1cc(ccn1)C(=O)[C@H]2C=CN (C=C2C(N)=O)[C@@H]3O[C@H](CO[P@@](O)(=O) O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@ H]4O)n5cnc6c(N)ncnc56)[C@@H](O)[C@H]3O; CCCc1cc(ccn1)C(=O)[C@H]2C=CN(C=C2C(=O)N) [C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)( O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H ](O4)n5cnc6c5ncnc6N)O)O)O)O; CCCc1cc(ccn 1)C(=O)C2C=CN(C=C2C(=O)N)C3C(C(C(O3)COP( =O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc 6N)O)O)O)O |
{(2R,3S,4R,5R)-5-[(4S)-3-(AMINOCARBONYL)-4-(2-PROPYLISONICOTINOYL)PYRIDIN-1(4H)-YL]-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL}M ETHYL [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE; 2-PROPYL-ISONICOTINIC-ACYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE |
| 36611 |  P1J ZINC000001087986 |
2 | C8 H9 N3 O5 | InChI=1S/C8H9N3O5/c12-5-3 -4(10-8(16)11-5)7(15)9-2- 1-6(13)14/h3H,1-2H2,(H,9, 15)(H,13,14)(H2,10,11,12, 16); HLVBXSGXJVQJGW-UHFFFAOYSA-N |
OC(=O)CCNC(=O)C1=CC(=O)NC(=O)N1; C(C(O)= O)CNC(C=1NC(=O)NC(C=1)=O)=O; C1=C(NC(=O) NC1=O)C(=O)NCCC(=O)O |
N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alanine |
| 36612 |  P1K |
4 | C6 H11 B F3 N4 O7 P S | InChI=1S/C6H11BF3N4O7PS/c 8-6(9,10)3-23(19,20)11-1- 5-2-14(13-12-5)4-7(15)21- 22(16,17)18/h2,11,15H,1,3 -4H2,(H2,16,17,18); VRNTWRQJSAWSEY-UHFFFAOYSA-N |
OB(Cn1cc(CN[S](=O)(=O)CC(F)(F)F)nn1)O[P] (O)(O)=O; B(Cn1cc(nn1)CNS(=O)(=O)CC(F)(F )F)(O)OP(=O)(O)O |
phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid |
| 36613 |  P1L DB08342 ZINC000053683097 |
0 | C19 H37 N O3 S | InChI=1S/C19H37NO3S/c1-2- 3-4-5-6-7-8-9-10-11-12-13 -14-15-18(21)24-16-17(20) 19(22)23/h17H,2-16,20H2,1 H3,(H,22,23)/t17-/m0/s1; FRAMWPHPFIXRCP-KRWDZBQOSA-N |
CCCCCCCCCCCCCCCC(=O)SCC(C(=O)O)N; CCCCCC CCCCCCCCCC(=O)SC[CH](N)C(O)=O; CCCCCCCCC CCCCCCC(=O)SC[C@@H](C(=O)O)N; O=C(O)C(N) CSC(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC (=O)SC[C@H](N)C(O)=O |
S-PALMITOYL-L-CYSTEINE |
| 36614 |  P1M CHEMBL5575194 |
4 | C15 H21 Br N2 | InChI=1S/C15H21BrN2/c1-18 -12-5-4-6-13(18)10-11(9-1 2)17-15-8-3-2-7-14(15)16/ h2-3,7-8,11-13,17H,4-6,9- 10H2,1H3/t11-,12+,13-; UZJWAFOJOSGEKL-CLLJXQQHSA-N |
CN1C2CCCC1CC(C2)Nc3ccccc3Br; CN1[C@@H]2C CC[C@H]1CC(C2)Nc3ccccc3Br; C2(CC1CCCC(N1 C)C2)Nc3c(Br)cccc3; CN1[C@@H]2CCC[C@H]1C [C@H](C2)Nc3ccccc3Br; CN1[CH]2CCC[CH]1C[ CH](C2)Nc3ccccc3Br |
(3-endo)-N-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine |
| 36615 |  P1O ZINC000043352736 |
0 | C28 H57 N O8 P | InChI=1S/C28H56NO8P/c1-6- 8-10-12-14-16-18-20-27(30 )34-24-26(25-36-38(32,33) 35-23-22-29(3,4)5)37-28(3 1)21-19-17-15-13-11-9-7-2 /h26H,6-25H2,1-5H3/p+1/t2 6-/m1/s1; MLKLDGSYMHFAOC-AREMUKBSSA-O |
CCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+] (C)(C)C)OC(=O)CCCCCCCCC; O=C(OC(COP(=O)( OCC[N+](C)(C)C)O)COC(=O)CCCCCCCCC)CCCCCC CCC; CCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+] (C)(C)C)OC(=O)CCCCCCCCC; CCCCCCCCCC(=O)O C[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O )CCCCCCCCC; CCCCCCCCCC(=O)OC[C@H](CO[P@@ ](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC |
1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE |
| 36616 |  P1P DB04755 |
0 | C3 H6 O4 P | InChI=1S/C3H6O4P/c4-2-1-3 -7-8(5)6/h1-3H2/q-1; GVQSIYRMPBGDCV-UHFFFAOYSA-N |
[O-][PH2+](=O)OCCC[O-]; [O-]CCCO[P+]([O- ])=O; C(C[O-])CO[P+](=O)[O-] |
3-{[OXIDO(OXO)PHOSPHINO]OXY}PROPAN-1-OLATE; PROPYL-1-PHOSPHATE |
| 36617 |  P1Q |
1 | C15 H22 Cl N O3 | InChI=1S/C15H22ClNO3/c1-1 1-9-20-15(12-4-3-5-13(16) 6-12)8-17(11)7-14(18)10-1 9-2/h3-6,11,14-15,18H,7-1 0H2,1-2H3/t11-,14?,15-/m0 /s1; TXSZONYEDFRDCI-NGKXAEKTSA-N |
COCC(O)CN1C[CH](OC[CH]1C)c2cccc(Cl)c2; C C1COC(CN1CC(COC)O)c2cccc(c2)Cl; C[C@H]1C O[C@@H](CN1CC(COC)O)c2cccc(c2)Cl; COCC(O )CN1C[C@H](OC[C@@H]1C)c2cccc(Cl)c2 |
1-[(2~{R},5~{S})-2-(3-chlorophenyl)-5-methyl-morpholin-4-yl]-3-methoxy-propan-2-ol |
| 36618 |  P1R CHEMBL15562 ZINC000000895216 |
1 | C4 H4 N2 | InChI=1S/C4H4N2/c1-2-5-4- 6-3-1/h1-4H; CZPWVGJYEJSRLH-UHFFFAOYSA-N |
c1cncnc1; n1cccnc1 | PYRIMIDINE |
| 36619 |  P1S ZINC000016051733 |
1 | C17 H14 O6 | InChI=1S/C17H14O6/c18-6-9 -1-2-10-12(3-9)20-7-17(19 )11-4-14-15(22-8-21-14)5- 13(11)23-16(10)17/h1-5,16 ,18-19H,6-8H2/t16-,17+/m1 /s1; JIYYREVJSFXTSG-SJORKVTESA-N |
OCc1ccc2[CH]3Oc4cc5OCOc5cc4[C]3(O)COc2c1 ; O3c2cc1OCOc1cc2C4(O)C3c5ccc(cc5OC4)CO; c1cc2c(cc1CO)OC[C@]3([C@@H]2Oc4c3cc5c(c 4)OCO5)O; c1cc2c(cc1CO)OCC3(C2Oc4c3cc5c( c4)OCO5)O; OCc1ccc2[C@H]3Oc4cc5OCOc5cc4[ C@@]3(O)COc2c1 |
(6AR,12AR)-3-(HYDROXYMETHYL)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-C]CHROMEN-6A(12AH)-OL; PISATIN |
| 36620 |  P1T ZINC000103552502 |
73 | C11 H15 N2 O7 P | InChI=1S/C11H15N2O7P/c1-6 -10(14)9(4-13-7(2)11(15)1 6)8(3-12-6)5-20-21(17,18) 19/h3,13-14H,2,4-5H2,1H3, (H,15,16)(H2,17,18,19); BXUDKFHCAMQSRX-UHFFFAOYSA-N |
Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O ; Cc1ncc(CO[P](O)(O)=O)c(CNC(=C)C(O)=O)c 1O; O=P(O)(O)OCc1cnc(c(O)c1CNC(=C)/C(=O) O)C |
2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID |
| 36621 |  P1U CHEMBL197430 ZINC000000135054 |
3 | C11 H7 Cl O3 | InChI=1S/C11H7ClO3/c12-8- 3-1-7(2-4-8)9-5-6-10(15-9 )11(13)14/h1-6H,(H,13,14); XIPQHWUSDHTXOO-UHFFFAOYSA-N |
OC(=O)c1oc(cc1)c2ccc(Cl)cc2; OC(=O)c1ccc (o1)c1ccc(Cl)cc1; c1cc(ccc1c2ccc(o2)C(=O )O)Cl |
5-(4-chlorophenyl)furan-2-carboxylic acid |
| 36622 |  P1V |
0 | C9 H16 N4 O2 | InChI=1S/C9H16N4O2/c1-6-1 1-8(13-12-6)5-3-2-4-7(10) 9(14)15/h7H,2-5,10H2,1H3, (H,14,15)(H,11,12,13)/t7- /m0/s1; BIBVPKMXAKDABB-ZETCQYMHSA-N |
Cc1[nH]nc(n1)CCCC[C@@H](C(=O)O)N; Cc1[nH ]nc(CCCC[C@H](N)C(O)=O)n1; Cc1[nH]nc(n1) CCCCC(C(=O)O)N; Cc1[nH]nc(CCCC[CH](N)C(O )=O)n1 |
(2~{S})-2-azanyl-6-(5-methyl-1~{H}-1,2,4-triazol-3-yl)hexanoic acid |
| 36623 |  P1W CHEMBL3184952 ZINC000000897129 |
0 | C5 H10 O | InChI=1S/C5H10O/c1-5(2)3- 4-6/h3,6H,4H2,1-2H3; ASUAYTHWZCLXAN-UHFFFAOYSA-N |
CC(=CCO)C; CC(C)=CCO | 3-methylbut-2-en-1-ol |
| 36624 |  P1X CHEMBL4126434 |
1 | C19 H18 Cl N5 O4 | InChI=1S/C19H18ClN5O4/c20 -14-5-3-12(4-6-14)2-1-7-2 5-11-15(23-24-25)13-8-16( 26)18(21-9-13)19(29)22-10 -17(27)28/h3-6,8-9,11,26H ,1-2,7,10H2,(H,22,29)(H,2 7,28); RODNKCMKPZCZKG-UHFFFAOYSA-N |
OC(=O)CNC(=O)c1ncc(cc1O)c2cn(CCCc3ccc(Cl )cc3)nn2; c1cc(ccc1CCCn2cc(nn2)c3cc(c(nc 3)C(=O)NCC(=O)O)O)Cl |
2-[[5-[1-[3-(4-chlorophenyl)propyl]-1,2,3-triazol-4-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid; (5-(1-(3-(4-chlorophenyl)propyl)-1H-1,2,3-triazol-4-yl)-3-hydroxypicolinoyl)glycine |
| 36625 |  P1Y CHEMBL572124 ZINC000043022979 |
1 | C13 H11 Br N2 O5 | InChI=1S/C13H11BrN2O5/c1- 21-8-3-2-6(4-7(8)14)5-9-1 5-10(13(19)20)11(17)12(18 )16-9/h2-4,17H,5H2,1H3,(H ,19,20)(H,15,16,18); LQQYBZYFFRDXNT-UHFFFAOYSA-N |
COc1ccc(cc1Br)Cc2nc(c(c(n2)O)O)C(=O)O; O =C(O)c1nc(nc(O)c1O)Cc2cc(Br)c(OC)cc2; CO c1ccc(Cc2nc(O)c(O)c(n2)C(O)=O)cc1Br |
2-(3-bromo-4-methoxybenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid |
| 36626 |  P1Z CHEMBL101 DB00812 ZINC000100004227 |
12 | C19 H20 N2 O2 | InChI=1S/C19H20N2O2/c1-2- 3-14-17-18(22)20(15-10-6- 4-7-11-15)21(19(17)23)16- 12-8-5-9-13-16/h4-13,17H, 2-3,14H2,1H3; VYMDGNCVAMGZFE-UHFFFAOYSA-N |
O=C2N(c1ccccc1)N(C(=O)C2CCCC)c3ccccc3; C CCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3 |
4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE |
| 36627 |  P20 ZINC000016051730 |
3 | C10 H12 Cl N3 O2 S | InChI=1S/C10H12ClN3O2S/c1 1-8-2-1-5(14-10(12)13)3-6 (8)7(4-17)9(15)16/h1-3,7, 17H,4H2,(H,15,16)(H4,12,1 3,14)/t7-/m1/s1; DDXTYELBFUMBFH-SSDOTTSWSA-N |
c1cc(c(cc1NC(=N)N)[C@@H](CS)C(=O)O)Cl; C lc1ccc(cc1C(C(=O)O)CS)NC(=[N@H])N; c1cc( c(cc1NC(=N)N)C(CS)C(=O)O)Cl; NC(=N)Nc1cc c(Cl)c(c1)[CH](CS)C(O)=O; NC(=N)Nc1ccc(C l)c(c1)[C@@H](CS)C(O)=O |
2-(5-{[AMINO(IMINO)METHYL]AMINO}-2-CHLOROPHENYL)-3-SULFANYLPROPANOIC ACID |
| 36628 |  P21 DB08344 ZINC000016052597 |
1 | C24 H31 Cl N2 O2 | InChI=1S/C24H31ClN2O2/c1- 29-18-6-16-27(24(28)21-10 -12-22(25)13-11-21)23-9-5 -15-26(19-23)17-14-20-7-3 -2-4-8-20/h2-4,7-8,10-13, 23H,5-6,9,14-19H2,1H3/t23 -/m0/s1; OOUGHDJEJNMXSV-QHCPKHFHSA-N |
COCCCN([C@H]1CCCN(CCc2ccccc2)C1)C(=O)c3c cc(Cl)cc3; Clc1ccc(cc1)C(=O)N(C3CCCN(CCc 2ccccc2)C3)CCCOC; COCCCN(C1CCCN(C1)CCc2c cccc2)C(=O)c3ccc(cc3)Cl; COCCCN([C@H]1CC C[N@](C1)CCc2ccccc2)C(=O)c3ccc(cc3)Cl; C OCCCN([CH]1CCCN(CCc2ccccc2)C1)C(=O)c3ccc (Cl)cc3 |
4-chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]benzamide |
| 36629 |  P22 DB01798 ZINC000012501104 |
0 | C2 H8 O7 P2 | InChI=1S/C2H8O7P2/c1-2-8- 11(6,7)9-10(3,4)5/h2H2,1H 3,(H,6,7)(H2,3,4,5); OJDJHGIXNZPZFD-UHFFFAOYSA-N |
CCO[P@@](O)(=O)O[P](O)(O)=O; CCO[P](O)(= O)O[P](O)(O)=O; CCOP(=O)(O)OP(=O)(O)O; C CO[P@](=O)(O)OP(=O)(O)O; O=P(OP(=O)(O)OC C)(O)O |
ETHYL DIHYDROGEN DIPHOSPHATE |
| 36630 |  P23 DB01679 |
4 | C3 H10 O7 P2 | InChI=1S/C3H10O7P2/c1-2-3 -9-12(7,8)10-11(4,5)6/h2- 3H2,1H3,(H,7,8)(H2,4,5,6); JCWMAIAFQQTSAX-UHFFFAOYSA-N |
CCCO[P@](O)(=O)O[P](O)(O)=O; O=P(O)(OP(= O)(OCCC)O)O; CCCOP(=O)(O)OP(=O)(O)O; CCC O[P@@](=O)(O)OP(=O)(O)O; CCCO[P](O)(=O)O [P](O)(O)=O |
PROPYL TRIHYDROGEN DIPHOSPHATE |
| 36631 |  P24 ZINC000019369339 |
0 | C6 H17 N3 | InChI=1S/C6H17N3/c7-3-1-2 -5-9-6-4-8/h9H,1-8H2; VRPPEXGZBZBARW-UHFFFAOYSA-N |
C(CCNCCN)CN; NCCCCNCCN | 1-(AMINOETHYL)AMINO-4-AMINOBUTANE; PA(24) |
| 36632 |  P25 DB02707 ZINC000012502488 |
0 | C5 H14 O7 P2 | InChI=1S/C5H14O7P2/c1-2-3 -4-5-11-14(9,10)12-13(6,7 )8/h2-5H2,1H3,(H,9,10)(H2 ,6,7,8); VFFCVKZHJFIUBM-UHFFFAOYSA-N |
CCCCCOP(=O)(O)OP(=O)(O)O; CCCCCO[P](O)(= O)O[P](O)(O)=O; CCCCCO[P@@](=O)(O)OP(=O) (O)O; CCCCCO[P@](O)(=O)O[P](O)(O)=O; O=P (OP(=O)(OCCCCC)O)(O)O |
PENTYL TRIHYDROGEN DIPHOSPHATE |
| 36633 |  P26 ZINC000039035256 |
1 | C23 H26 O4 | InChI=1S/C23H26O4/c1-21(2 )14-22(3,4)19-13-17(9-10- 18(19)21)23(26-11-12-27-2 3)16-7-5-15(6-8-16)20(24) 25/h5-10,13H,11-12,14H2,1 -4H3,(H,24,25); ISZBCQLHSNHWLM-UHFFFAOYSA-N |
CC1(CC(c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(= O)O)(C)C)C; CC1(C)CC(C)(C)c2cc(ccc12)C3( OCCO3)c4ccc(cc4)C(O)=O; O=C(O)c1ccc(cc1) C2(OCCO2)c3ccc4c(c3)C(C)(C)CC4(C)C |
4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid |
| 36634 |  P27 CHEMBL267048 DB02651 ZINC000024787833 |
1 | C29 H23 F6 N3 O6 P2 | InChI=1S/C29H23F6N3O6P2/c 30-23-14-13-22(15-24(23)3 1)27(38-26-4-2-1-3-25(26) 36-37-38,16-18-5-9-20(10- 6-18)28(32,33)45(39,40)41 )17-19-7-11-21(12-8-19)29 (34,35)46(42,43)44/h1-15H ,16-17H2,(H2,39,40,41)(H2 ,42,43,44); BTAGTGWPDROBMG-UHFFFAOYSA-N |
O[P](O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C( F)(F)[P](O)(O)=O)(n3nnc4ccccc34)c5ccc(F) c(F)c5)cc1; c1ccc2c(c1)nnn2C(Cc3ccc(cc3) C(F)(F)P(=O)(O)O)(Cc4ccc(cc4)C(F)(F)P(=O )(O)O)c5ccc(c(c5)F)F; FC(F)(c1ccc(cc1)CC (c2ccc(F)c(F)c2)(n4nnc3ccccc34)Cc5ccc(cc 5)C(F)(F)P(=O)(O)O)P(=O)(O)O |
{[2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-(3,4-DIFLUOROPHENYL)PROPANE-1,3-DIYL]BIS[4,1-PHENYLENE(DIFLUOROMETHYLENE)]}BIS(PHOSPHONIC ACID) |
| 36635 |  P28 DB03239 ZINC000002043134 |
2 | C17 H15 N3 O9 | InChI=1S/C17H15N3O9/c1-9( 21)18-13(17(23)24)6-10-2- 4-11(5-3-10)29-12-7-14(19 (25)26)16(22)15(8-12)20(2 7)28/h2-5,7-8,13,22H,6H2, 1H3,(H,18,21)(H,23,24)/t1 3-/m0/s1; VZSQTOXQXPKQJX-ZDUSSCGKSA-N |
CC(=O)NC(Cc1ccc(cc1)Oc2cc(c(c(c2)[N+](=O )[O-])O)[N+](=O)[O-])C(=O)O; CC(=O)N[C@@ H](Cc1ccc(Oc2cc(c(O)c(c2)[N+]([O-])=O)[N +]([O-])=O)cc1)C(O)=O; CC(=O)N[CH](Cc1cc c(Oc2cc(c(O)c(c2)[N+]([O-])=O)[N+]([O-]) =O)cc1)C(O)=O; CC(=O)N[C@@H](Cc1ccc(cc1) Oc2cc(c(c(c2)[N+](=O)[O-])O)[N+](=O)[O-] )C(=O)O; O=[N+]([O-])c2cc(Oc1ccc(cc1)CC( C(=O)O)NC(=O)C)cc([N+]([O-])=O)c2O |
3',5'-DINITRO-N-ACETYL-L-THYRONINE |
| 36636 |  P29 CHEMBL389767 DB08345 ZINC000016052401 |
1 | C17 H15 N9 | InChI=1S/C17H15N9/c18-8-1 2-9-22-26-15(12)24-16(23- 13-4-2-1-3-5-13)25-17(26) 20-7-6-14-10-19-11-21-14/ h1-5,9-11H,6-7H2,(H,19,21 )(H2,20,23,24,25); IWUUKHQIKFHWIW-UHFFFAOYSA-N |
N#Cc1cnn2c(NCCc3[nH]cnc3)nc(Nc4ccccc4)nc 12; c1ccc(cc1)Nc2nc3c(cnn3c(n2)NCCc4cnc[ nH]4)C#N; N#Cc4cnn1c4nc(nc1NCCc2cncn2)Nc 3ccccc3 |
4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE |
| 36637 |  P2A ZINC000002012449 |
0 | C7 H13 O8 P | InChI=1S/C7H13O8P/c1-5(8) 13-3-7(15-6(2)9)4-14-16(1 0,11)12/h7H,3-4H2,1-2H3,( H2,10,11,12)/t7-/m1/s1; GYIRJTRGVDOQDH-SSDOTTSWSA-N |
CC(=O)OCC(COP(=O)(O)O)OC(=O)C; O=P(O)(OC C(OC(=O)C)COC(=O)C)O; CC(=O)OC[CH](CO[P] (O)(O)=O)OC(C)=O; CC(=O)OC[C@H](CO[P](O) (O)=O)OC(C)=O; CC(=O)OC[C@H](COP(=O)(O)O )OC(=O)C |
1,2-DIETHANOYL-SN-GLYCERO-3-PHOSPHATE |
| 36638 |  P2B CHEMBL1290743 ZINC000038792908 |
1 | C19 H19 N5 O2 | InChI=1S/C19H19N5O2/c25-1 6-5-1-3-14(11-16)17-12-18 (21-15-4-2-6-20-13-15)23- 19(22-17)24-7-9-26-10-8-2 4/h1-6,11-13,25H,7-10H2,( H,21,22,23); VPAXYWZGMCIWNR-UHFFFAOYSA-N |
Oc1cccc(c1)c2cc(Nc3cccnc3)nc(n2)N4CCOCC4 ; c1cc(cc(c1)O)c2cc(nc(n2)N3CCOCC3)Nc4cc cnc4; n2c(Nc1cccnc1)cc(nc2N3CCOCC3)c4ccc c(O)c4 |
3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol |
| 36639 |  P2C DB04756 ZINC000014881299 |
6 | C13 H9 Cl2 N O5 | InChI=1S/C13H9Cl2NO5/c14- 9-5-7(6-10(15)12(9)20-21- 19)16-11-4-2-1-3-8(11)13( 17)18/h1-6,16,19H,(H,17,1 8); SNAMTVTZDPUVRA-UHFFFAOYSA-N |
c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OOO)Cl ; Clc1cc(cc(Cl)c1OOO)Nc2ccccc2C(=O)O; OO Oc1c(Cl)cc(Nc2ccccc2C(O)=O)cc1Cl |
2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID; 2-[3,5-DICHLORO-4-(2-{2-[2(2-MERCAPTOETHOXY)ETHOXY]ETHOXY}ETHOXY)PHENYLAMINO]BENZOIC ACID |
| 36640 |  P2D CHEMBL191625 ZINC000004720638 |
8 | C5 H8 O2 | InChI=1S/C5H8O2/c1-4(6)3- 5(2)7/h3H2,1-2H3; YRKCREAYFQTBPV-UHFFFAOYSA-N |
CC(=O)CC(C)=O; CC(=O)CC(=O)C; O=C(C)CC(= O)C |
pentane-2,4-dione |
| 36641 |  P2E CHEMBL548 DB00917 ZINC000003830713 |
16 | C20 H32 O5 | InChI=1S/C20H32O5/c1-2-3- 6-9-15(21)12-13-17-16(18( 22)14-19(17)23)10-7-4-5-8 -11-20(24)25/h4,7,12-13,1 5-17,19,21,23H,2-3,5-6,8- 11,14H2,1H3,(H,24,25)/b7- 4-,13-12+/t15-,16+,17+,19 +/m0/s1; XEYBRNLFEZDVAW-ARSRFYASSA-N |
CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O; CCCCC[CH](O)C=C[CH]1[CH](O)CC(=O)[CH]1C C=CCCCC(O)=O; CCCCC[C@@H](\C=C\[C@H]1[C@ @H](CC(=O)[C@@H]1C\C=C/CCCC(=O)O)O)O; CC CCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@ H]1C\C=C/CCCC(O)=O; O=C1CC(O)C(/C=C/C(O) CCCCC)C1C\C=C/CCCC(=O)O |
(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid; Prostaglandin E2 |
| 36642 |  P2F CHEMBL587764 ZINC000049745031 |
6 | C38 H52 N4 O6 S | InChI=1S/C38H52N4O6S/c1-6 -18-41(19-7-2)37(45)30-23 -29(24-32(25-30)42-20-11- 12-21-49(42,46)47)36(44)4 0-34(22-28-14-9-8-10-15-2 8)35(43)27-39-38(3,4)31-1 6-13-17-33(26-31)48-5/h8- 10,13-17,23-26,34-35,39,4 3H,6-7,11-12,18-22,27H2,1 -5H3,(H,40,44)/t34-,35+/m 0/s1; KCQAMDDVQXZDMS-OIDHKYIRSA-N |
CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCS2(=O)=O) C(=O)NC(Cc3ccccc3)C(CNC(C)(C)c4cccc(c4)O C)O; CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@ H](Cc2ccccc2)[C@H](O)CNC(C)(C)c3cccc(OC) c3)N4CCCC[S]4(=O)=O; CCCN(CCC)C(=O)c1cc( cc(c1)N2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccc cc3)[C@@H](CNC(C)(C)c4cccc(c4)OC)O; O=S4 (=O)N(c3cc(C(=O)NC(Cc1ccccc1)C(O)CNC(c2c ccc(OC)c2)(C)C)cc(C(=O)N(CCC)CCC)c3)CCCC 4; CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[CH](C c2ccccc2)[CH](O)CNC(C)(C)c3cccc(OC)c3)N4 CCCC[S]4(=O)=O |
5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-N3-[(2S,3R)-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-N1,N1-dipropyl-benzene-1,3-dicarboxamide |
| 36643 |  P2G DB04757 ZINC000012504496 |
1 | C11 H14 N5 O8 P | InChI=1S/C11H14N5O8P/c12- 10-14-7-4(8(18)15-10)13-2 -16(7)9-6-5(3(1-17)22-9)2 3-11(24-6)25(19,20)21/h2- 3,5-6,9,11,17H,1H2,(H2,19 ,20,21)(H3,12,14,15,18)/t 3-,5-,6-,9-,11+/m1/s1; GKAPYWCOOQBBHV-KXSYMAMXSA-N |
c1nc2c(n1C3C4C(C(O3)CO)OC(O4)P(=O)(O)O)N =C(NC2=O)N; c1nc2c(n1[C@H]3[C@H]4[C@@H]( [C@H](O3)CO)O[C@@H](O4)P(=O)(O)O)N=C(NC2 =O)N; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H] (CO)[C@H]4O[C@@H](O[C@@H]34)[P](O)(O)=O; NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH] 4O[CH](O[CH]34)[P](O)(O)=O; O=C4NC(=Nc1c 4ncn1C3OC(C2OC(OC23)P(=O)(O)O)CO)N |
(2S,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-6-(HYDROXYMETHYL)-TETRAHYDROFURO[3,4-D][1,3]DIOXOL-2-YLPHOSPHONI C ACID; GUANOSINE-2',3'-O-METHYLIDENEPHOSPHONATE |
| 36644 |  P2H CHEMBL196726 ZINC000013643025 |
3 | C13 H16 N O7 P2 | InChI=1S/C13H15NO7P2/c15- 13(22(16,17)18,23(19,20)2 1)10-14-8-4-7-12(9-14)11- 5-2-1-3-6-11/h1-9,15H,10H 2,(H3-,16,17,18,19,20,21) /p+1; ZYEONEYSNIUGRA-UHFFFAOYSA-O |
O=P(O)(O)C(O)(P(=O)(O)O)C[n+]2cccc(c1ccc cc1)c2; OC(C[n+]1cccc(c1)c2ccccc2)([P](O )(O)=O)[P](O)(O)=O; c1ccc(cc1)c2ccc[n+]( c2)CC(O)(P(=O)(O)O)P(=O)(O)O |
1-(2-hydroxy-2,2-diphosphonoethyl)-3-phenylpyridinium |
| 36645 |  P2I |
0 | C13 H22 O13 P | InChI=1S/C13H23O13P/c1-5( 14)23-3-7(25-6(2)15)4-24- 27(21,22)26-13-11(19)9(17 )8(16)10(18)12(13)20/h7-1 3,16-20H,3-4H2,1-2H3,(H,2 1,22)/p-1/t7-,8-,9-,10+,1 1+,12-,13-/m0/s1; WCCWBLFRGXINLH-IKRGOOTDSA-M |
O=C(OCC(OC(=O)C)COP([O-])(=O)OC1C(O)C(O) C(O)C(O)C1O)C; CC(=O)OCC(COP(=O)([O-])OC 1C(C(C(C(C1O)O)O)O)O)OC(=O)C; CC(=O)OC[C @@H](CO[P@@](=O)([O-])OC1[C@H]([C@@H](C( [C@@H]([C@H]1O)O)O)O)O)OC(=O)C; CC(=O)OC [CH](CO[P]([O-])(=O)O[CH]1[CH](O)[CH](O) [CH](O)[CH](O)[CH]1O)OC(C)=O; CC(=O)OC[C @@H](CO[P]([O-])(=O)O[C@@H]1[C@@H](O)[C@ H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(C)=O |
1,2-DIACETOYL-SN-GLYCERO-3-PHOSPHOINOSITOL |
| 36646 |  P2J |
0 | C19 H31 N7 O5 | InChI=1S/C19H31N7O5/c1-2- 3-4-6-25(7-5-11(20)19(29) 30)8-12-14(27)15(28)18(31 -12)26-10-24-13-16(21)22- 9-23-17(13)26/h9-12,14-15 ,18,27-28H,2-8,20H2,1H3,( H,29,30)(H2,21,22,23)/t11 -,12-,14-,15+,18-/m0/s1; IZQBBTVZUZUZGN-VQYVRKMMSA-N |
CCCCCN(CCC(C(=O)O)N)CC1C(C(C(O1)n2cnc3c2 ncnc3N)O)O; CCCCCN(CC[C@@H](C(=O)O)N)C[C @H]1[C@@H]([C@H]([C@H](O1)n2cnc3c2ncnc3N )O)O; c2nc(N)c3ncn(C1OC(C(O)C1O)CN(CCC(C (O)=O)N)CCCCC)c3n2; CCCCCN(CC[C@H](N)C(O )=O)C[C@@H]1O[C@@H]([C@H](O)[C@H]1O)n2cn c3c(N)ncnc23; CCCCCN(CC[CH](N)C(O)=O)C[C H]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 |
9-(5-{[(3S)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-L-arabinofuranosyl)-9H-purin-6-amine |
| 36647 |  P2K CHEMBL1235082 |
0 | C12 H26 O7 | InChI=1S/C12H26O7/c13-1-3 -15-5-7-17-9-11-19-12-10- 18-8-6-16-4-2-14/h13-14H, 1-12H2; IIRDTKBZINWQAW-UHFFFAOYSA-N |
O(CCO)CCOCCOCCOCCOCCO; OCCOCCOCCOCCOCCOC CO; C(COCCOCCOCCOCCOCCO)O |
POLYETHYLENE GLYCOL PEG2000 |
| 36648 |  P2L CHEMBL4072538 ZINC000134330948 |
3 | C11 H17 Cl N4 O | InChI=1S/C11H17ClN4O/c1-1 5-5-3-4-8(7-15)14-9-6-13- 16(2)11(17)10(9)12/h6,8,1 4H,3-5,7H2,1-2H3/t8-/m1/s 1; LEPPHANDICKARV-MRVPVSSYSA-N |
CN1CCC[CH](C1)NC2=C(Cl)C(=O)N(C)N=C2; CN 1CCC[C@H](C1)NC2=C(Cl)C(=O)N(C)N=C2; CN1 CCCC(C1)NC2=C(C(=O)N(N=C2)C)Cl; CN1CCC[C @H](C1)NC2=C(C(=O)N(N=C2)C)Cl |
4-chlorol-2-methyl-5-[[(3~{R})-1-methylpiperidin-3-yl]amino]pyridazin-3-one |
| 36649 |  P2M ZINC000000313574 |
2 | C16 H14 N2 O2 S | InChI=1S/C16H14N2O2S/c19- 21(20,18-12-14-8-3-4-11-1 7-14)16-10-5-7-13-6-1-2-9 -15(13)16/h1-11,18H,12H2; LYUIYUXDRYTIOE-UHFFFAOYSA-N |
c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccccn3; O=[ S](=O)(NCc1ccccn1)c2cccc3ccccc23; O=S(=O )(NCc1ncccc1)c3c2ccccc2ccc3 |
N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide |
| 36650 |  P2N CHEMBL1235084 DB08346 ZINC000038443836 |
1 | C17 H19 Cl O5 | InChI=1S/C17H19ClO5/c18-1 6-12-9-11(19)7-5-3-1-2-4- 6-8-23-17(22)15(12)13(20) 10-14(16)21/h2,4,10,20-21 H,1,3,5-9H2/b4-2+; YUZYDHRGGDTZLG-DUXPYHPUSA-N |
c1c(c2c(c(c1O)Cl)CC(=O)CCCCC=CCCOC2=O)O; Oc1cc(O)c2C(=O)OCC/C=C/CCCCC(=O)Cc2c1Cl ; O=C1OCCC=CCCCCC(=O)Cc2c1c(O)cc(O)c2Cl; c1c(c2c(c(c1O)Cl)CC(=O)CCCC\C=C\CCOC2=O )O; Oc1cc(O)c2C(=O)OCCC=CCCCCC(=O)Cc2c1C l |
(5Z)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,11(12H)-DIONE |
| 36651 |  P2O ZINC000034632696 |
1 | C6 H7 N O2 | InChI=1S/C6H7NO2/c1-2-3-7 -4-5-9-6(7)8/h1H,3-5H2; LLGPRHHHEVBUJY-UHFFFAOYSA-N |
C#CCN1CCOC1=O; O=C1OCCN1CC#C | 3-PROP-2-YN-1-YL-1,3-OXAZOLIDIN-2-ONE; 1-(PROP-2-YNYL)-OXAZOLIDINE-2-ONE |
| 36652 |  P2P DB02905 ZINC000012502817 |
1 | C10 H13 N4 O8 P | InChI=1S/C10H13N4O8P/c15- 6-5(2-21-23(18,19)20)22-9 (7(6)16)14-3-12-8-4(14)1- 11-10(17)13-8/h1,3,5-7,9, 15-16H,2H2,(H,11,13,17)(H 2,18,19,20)/t5-,6-,7-,9+/ m1/s1; BVZASCINAVSQNO-PULFBKJNSA-N |
c1c2c(ncn2C3C(C(C(O3)COP(=O)(O)O)O)O)nc( n1)O; O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O )=O)n2cnc3nc(O)ncc23; O[C@H]1[C@@H](O)[C @H](O[C@@H]1CO[P](O)(O)=O)n2cnc3nc(O)ncc 23; c1c2c(ncn2[C@@H]3[C@@H]([C@@H]([C@H] (O3)COP(=O)(O)O)O)O)nc(n1)O; O=P(O)(O)OC C3OC(n2cnc1nc(O)ncc12)C(O)C3O |
N7-(5'-PHOSPHO-ALPHA-RIBOSYL)-2-HYDROXYPURINE; PHOSPHORIC ACID MONO-[3,4-DIHYDROXY-5-(5-HYDROXY-BENZOIMIDAZOL-1-YL)TETRAHYDRO-FURAN-2-YLMETHYL] ESTER |
| 36653 |  P2Q ZINC000058650489 |
0 | C20 H22 N2 O6 | InChI=1S/C20H22N2O6/c21-1 6(20(26)27)9-13-10-17(19( 25)11-18(13)24)22-14(12-2 3)5-4-8-28-15-6-2-1-3-7-1 5/h1-7,10-12,14,16,22,24- 25H,8-9,21H2,(H,26,27)/b5 -4+/t14-,16-/m0/s1; KEYWGUHMZKSCTL-QNKPMFPBSA-N |
c1ccc(cc1)OCC=CC(C=O)Nc2cc(c(cc2O)O)CC(C (=O)O)N; N[C@@H](Cc1cc(N[C@H](C=O)\C=C\C Oc2ccccc2)c(O)cc1O)C(O)=O; N[CH](Cc1cc(N [CH](C=O)C=CCOc2ccccc2)c(O)cc1O)C(O)=O; c1ccc(cc1)OC/C=C/[C@@H](C=O)Nc2cc(c(cc2O )O)C[C@@H](C(=O)O)N |
2-hydroxy-5-{[(1S,2E)-1-formyl-4-phenoxybut-2-en-1yl]amino}-L-tyrosine; 3-{[(1S,2E)-1-formyl-4-phenoxybut-2-en-1-yl]amino}-6-hydroxy-L-tyrosine |
| 36654 |  P2R |
1 | C25 H26 N4 O2 | InChI=1S/C25H26N4O2/c26-2 4-10-8-17-6-5-16(13-21(17 )28-24)15-27-25(31)18-7-9 -23-20(14-18)19-3-1-2-4-2 2(19)29(23)11-12-30/h5-10 ,13-14,30H,1-4,11-12,15H2 ,(H2,26,28)(H,27,31); KDIMVKXBQNTHIJ-UHFFFAOYSA-N |
Nc1nc2cc(ccc2cc1)CNC(=O)c1cc2c(cc1)n(CCO )c1CCCCc21; c1cc(cc2c1ccc(n2)N)CNC(=O)c3 ccc4c(c3)c5c(n4CCO)CCCC5; Nc1ccc2ccc(CNC (=O)c3ccc4n(CCO)c5CCCCc5c4c3)cc2n1 |
N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide |
| 36655 |  P2S ZINC000033821454 |
2 | C9 H19 N2 O8 P S | InChI=1S/C9H19N2O8PS/c1-2 -6(8(12)13)5-21(19,11-20( 16,17)18)4-3-7(10)9(14)15 /h6-7H,2-5,10H2,1H3,(H,12 ,13)(H,14,15)(H2,16,17,18 )/t6-,7+,21-/m1/s1; LVBQTRQMXKDEFG-CRRUPIIHSA-N |
CCC(CS(=NP(=O)(O)O)(=O)CCC(C(=O)O)N)C(=O )O; CC[C@H](C[S](=O)(CC[C@H](N)C(O)=O)=N [P](O)(O)=O)C(O)=O; CC[C@H](C[S@](=NP(=O )(O)O)(=O)CC[C@@H](C(=O)O)N)C(=O)O; CC[C H](C[S](=O)(CC[CH](N)C(O)=O)=N[P](O)(O)= O)C(O)=O; O=P(N=S(=O)(CC(C(=O)O)CC)CCC(C (=O)O)N)(O)O |
(2S)-2-AMINO-4-[[(2R)-2-CARBOXYBUTYL](PHOSPHONO)SULFONIMIDOYL]BUTANOIC ACID; N-PHOSPHORYL (2S)-2-AMINO-4-[(2S)-2-CARBOXYBUTYL-(R)-SULFONIMIDOYL]BUTANOIC ACID |
| 36656 |  P2T ZINC000058638569 |
0 | C13 H21 N2 O9 P | InChI=1S/C13H21N2O9P/c1-3 -4-22-10-9(16)8(6-23-25(1 9,20)21)24-12(10)15-5-7(2 )11(17)14-13(15)18/h5,8-1 0,12,16H,3-4,6H2,1-2H3,(H ,14,17,18)(H2,19,20,21)/t 8-,9-,10-,12-/m1/s1; YCUXLAVNRCJWRL-DNRKLUKYSA-N |
O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCC)COP(=O )(O)O; CCCOC1C(C(OC1N2C=C(C(=O)NC2=O)C)C OP(=O)(O)O)O; CCCO[C@@H]1[C@@H]([C@H](O[ C@H]1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O; C CCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1 N2C=C(C)C(=O)NC2=O; CCCO[C@@H]1[C@H](O)[ C@@H](CO[P](O)(O)=O)O[C@H]1N2C=C(C)C(=O) NC2=O |
2'-O-PROPYL THYMIDINE-5-MONOPHOSPHATE |
| 36657 |  P2U ZINC000013552201 |
0 | C9 H13 N2 O8 P | InChI=1S/C9H13N2O8P/c12-5 -1-6(4-2-10-9(14)11-8(4)1 3)19-7(5)3-18-20(15,16)17 /h2,5-7,12H,1,3H2,(H2,15, 16,17)(H2,10,11,13,14)/t5 -,6+,7+/m0/s1; QJNQHNJPOXCQQR-RRKCRQDMSA-N |
O=P(OCC2OC(C1=CNC(=O)NC1=O)CC2O)(O)O; C1 [C@@H]([C@H](O[C@H]1C2=CNC(=O)NC2=O)COP( =O)(O)O)O; C1C(C(OC1C2=CNC(=O)NC2=O)COP( =O)(O)O)O; O[CH]1C[CH](O[CH]1CO[P](O)(O) =O)C2=CNC(=O)NC2=O; O[C@H]1C[C@@H](O[C@@ H]1CO[P](O)(O)=O)C2=CNC(=O)NC2=O |
2'-DEOXY-PSEUDOURIDINE-5'MONOPHOSPHATE |
| 36658 |  P2V |
2 | C26 H30 N6 S | InChI=1S/C26H30N6S/c1-17( 2)22-23-24(32-31-22)25(30 -26(29-23)33-20-12-14-27- 15-13-20)28-16-19-10-6-7- 11-21(19)18-8-4-3-5-9-18/ h3-11,17,20,27H,12-16H2,1 -2H3,(H,31,32)(H,28,29,30 ); JSWSIHXBXVQRFW-UHFFFAOYSA-N |
CC(C)c1[nH]nc2c(NCc3ccccc3c4ccccc4)nc(SC 5CCNCC5)nc12; CC(C)c1c2c(c(nc(n2)SC3CCNC C3)NCc4ccccc4c5ccccc5)n[nH]1 |
~{N}-[(2-phenylphenyl)methyl]-5-piperidin-4-ylsulfanyl-3-propan-2-yl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine |
| 36659 |  P2X CHEMBL1241674 ZINC000036056301 |
2 | C16 H16 N6 O | InChI=1S/C16H16N6O/c1-8(2 )22-16-13(15(17)18-7-19-1 6)14(21-22)12-6-9-5-10(23 )3-4-11(9)20-12/h3-8,20,2 3H,1-2H3,(H2,17,18,19); MFAQYJIYDMLAIM-UHFFFAOYSA-N |
n1c(c2c(nc1)n(nc2c4cc3cc(O)ccc3n4)C(C)C) N; CC(C)n1c2c(c(n1)c3cc4cc(ccc4[nH]3)O)c (ncn2)N; CC(C)n1nc(c2[nH]c3ccc(O)cc3c2)c 4c(N)ncnc14 |
2-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol |
| 36660 |  P2Y DB03253 ZINC000039357503 |
4 | C5 H12 N2 | InChI=1S/C5H12N2/c6-4-5-2 -1-3-7-5/h5,7H,1-4,6H2/t5 -/m0/s1; AUKXFNABVHIUAC-YFKPBYRVSA-N |
NC[CH]1CCCN1; C1C[C@H](NC1)CN; C1CC(NC1) CN; NCC1NCCC1; NC[C@@H]1CCCN1 |
(2S)-PYRROLIDIN-2-YLMETHYLAMINE |
| 36661 |  P2Z CHEMBL564 DB00420 ZINC000000010402 |
2 | C17 H20 N2 S | InChI=1S/C17H20N2S/c1-18( 2)12-7-13-19-14-8-3-5-10- 16(14)20-17-11-6-4-9-15(1 7)19/h3-6,8-11H,7,12-13H2 ,1-2H3; ZGUGWUXLJSTTMA-UHFFFAOYSA-N |
CN(C)CCCN1c2ccccc2Sc3ccccc13; S2c1ccccc1 N(c3c2cccc3)CCCN(C)C; CN(C)CCCN1c2ccccc2 Sc3c1cccc3 |
Promazine; N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine |
| 36662 |  P30 CHEMBL576982 DB12874 ZINC000043204002 |
3 | C29 H32 N6 O4 S | InChI=1S/C29H32N6O4S/c1-2 9(2,3)25-17-26(33-39-25)3 2-27(36)30-20-6-4-19(5-7- 20)22-18-35-23-9-8-21(16- 24(23)40-28(35)31-22)38-1 5-12-34-10-13-37-14-11-34 /h4-9,16-18H,10-15H2,1-3H 3,(H2,30,32,33,36); CVWXJKQAOSCOAB-UHFFFAOYSA-N |
O=C(Nc1noc(c1)C(C)(C)C)Nc6ccc(c4nc5sc3c( ccc(OCCN2CCOCC2)c3)n5c4)cc6; CC(C)(C)c1c c(no1)NC(=O)Nc2ccc(cc2)c3cn4c5ccc(cc5sc4 n3)OCCN6CCOCC6; CC(C)(C)c1onc(NC(=O)Nc2c cc(cc2)c3cn4c(sc5cc(OCCN6CCOCC6)ccc45)n3 )c1 |
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea; Quizartinib; PLX3397 |
| 36663 |  P31 CHEMBL3813873 DB12978 ZINC000115705166 |
2 | C20 H15 Cl F3 N5 | InChI=1S/C20H15ClF3N5/c21 -15-6-16-14(10-28-19(16)2 9-11-15)5-12-2-4-18(26-7- 12)27-9-13-1-3-17(25-8-13 )20(22,23)24/h1-4,6-8,10- 11H,5,9H2,(H,26,27)(H,28, 29); JGWRKYUXBBNENE-UHFFFAOYSA-N |
c1cc(ncc1Cc2c[nH]c3c2cc(cn3)Cl)NCc4ccc(n c4)C(F)(F)F; FC(F)(F)c1ccc(CNc2ccc(Cc3c[ nH]c4ncc(Cl)cc34)cn2)cn1; FC(F)(F)c1ncc( cc1)CNc2ncc(cc2)Cc4c3cc(Cl)cnc3nc4 |
5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine |
| 36664 |  P32 DB08347 ZINC000053683105 |
14 | C16 H21 N3 O2 | InChI=1S/C16H21N3O2/c1-16 (2,3)18-9-12(20)10-21-15- 6-4-5-14-13(15)7-11(8-17) 19-14/h4-6,12,18,20H,7,9- 10H2,1-3H3/t12-/m0/s1; CQEFAUFOQSCRMZ-LBPRGKRZSA-N |
CC(C)(C)NC[C@H](O)COc1cccc2N=C(Cc12)C#N; N#CC2=Nc1cccc(OCC(O)CNC(C)(C)C)c1C2; CC (C)(C)NCC(COc1cccc2c1CC(=N2)C#N)O; CC(C) (C)NC[CH](O)COc1cccc2N=C(Cc12)C#N; CC(C) (C)NC[C@@H](COc1cccc2c1CC(=N2)C#N)O |
Cyanopindolol; 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile |
| 36665 |  P33 DB03394 ZINC000005178829 |
2 | C14 H30 O8 | InChI=1S/C14H30O8/c15-1-3 -17-5-7-19-9-11-21-13-14- 22-12-10-20-8-6-18-4-2-16 /h15-16H,1-14H2; XPJRQAIZZQMSCM-UHFFFAOYSA-N |
OCCOCCOCCOCCOCCOCCOCCO; O(CCOCCO)CCOCCOC COCCOCCO; C(COCCOCCOCCOCCOCCOCCO)O |
3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL; HEPTAETHYLENE GLYCOL; PEG330 |
| 36666 |  P34 CHEMBL372303 DB08348 ZINC000000008960 |
26 | C17 H17 N3 O2 | InChI=1S/C17H17N3O2/c1-20 (2)10-16(21)18-11-7-8-15- 14(9-11)12-5-3-4-6-13(12) 17(22)19-15/h3-9H,10H2,1- 2H3,(H,18,21)(H,19,22); UYJZZVDLGDDTCL-UHFFFAOYSA-N |
CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2; CN(C)CC(=O)Nc1ccc2NC(=O)c3ccccc3c2c1; O =C(Nc3ccc1c(c2c(C(=O)N1)cccc2)c3)CN(C)C |
N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE |
| 36667 |  P35 CHEMBL4091824 ZINC000584905679 |
1 | C19 H23 N3 O4 S | InChI=1S/C19H23N3O4S/c23- 17-3-4-19(18(24)10-17)27( 25,26)22-11-13-1-2-16(9-1 4(13)12-22)21-15-5-7-20-8 -6-15/h1-4,9-10,15,20-21, 23-24H,5-8,11-12H2; HQHMYMINMCVYMC-UHFFFAOYSA-N |
c1cc2c(cc1NC3CCNCC3)CN(C2)S(=O)(=O)c4ccc (cc4O)O; Oc1ccc(c(O)c1)[S](=O)(=O)N2Cc3c cc(NC4CCNCC4)cc3C2; c1cc(O)cc(c1S(=O)(N2 Cc3ccc(cc3C2)NC4CCNCC4)=O)O |
4-({5-[(piperidin-4-yl)amino]-1,3-dihydro-2H-isoindol-2-yl}sulfonyl)benzene-1,3-diol |
| 36668 |  P36 CHEMBL1095447 ZINC000034270053 |
1 | C19 H16 Br N O2 | InChI=1S/C19H16BrNO2/c20- 18-17(23-14-16-9-5-2-6-10 -16)11-12-21(19(18)22)13- 15-7-3-1-4-8-15/h1-12H,13 -14H2; VBZTXJCTVYBOKW-UHFFFAOYSA-N |
c1ccc(cc1)CN2C=CC(=C(C2=O)Br)OCc3ccccc3; BrC2=C(OCc1ccccc1)C=CN(C2=O)Cc3ccccc3; BrC1=C(OCc2ccccc2)C=CN(Cc3ccccc3)C1=O |
1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1H)-one |
| 36669 |  P37 CHEMBL559401 DB08349 ZINC000039273513 |
1 | C24 H21 F2 N5 O2 | InChI=1S/C24H21F2N5O2/c1- 13-3-4-14(23(33)28-16-6-7 -16)9-19(13)29-20-11-22(3 2)30(2)24-17(20)12-27-31( 24)21-8-5-15(25)10-18(21) 26/h3-5,8-12,16,29H,6-7H2 ,1-2H3,(H,28,33); WMEYCLAVMZKZCS-UHFFFAOYSA-N |
Cc1ccc(cc1NC2=CC(=O)N(c3c2cnn3c4ccc(cc4F )F)C)C(=O)NC5CC5; CN1C(=O)C=C(Nc2cc(ccc2 C)C(=O)NC3CC3)c4cnn(c5ccc(F)cc5F)c14; O= C(NC1CC1)c2cc(c(cc2)C)NC=4c3cnn(c3N(C(=O )C=4)C)c5ccc(F)cc5F |
N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide |
| 36670 |  P38 ZINC000039046721 |
1 | C33 H32 N8 O3 | InChI=1S/C33H32N8O3/c1-21 -9-10-26(38-32(42)25-11-1 2-34-29(17-25)40-13-15-44 -16-14-40)18-28(21)39-31- 30-22(2)27(19-41(30)36-20 -35-31)33(43)37-23(3)24-7 -5-4-6-8-24/h4-12,17-20H, 3,13-16H2,1-2H3,(H,37,43) (H,38,42)(H,35,36,39); ABOUJDCZZMNXIR-UHFFFAOYSA-N |
Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)NC(=C)c4 ccccc4)C)NC(=O)c5ccnc(c5)N6CCOCC6; Cc1cc c(NC(=O)c2ccnc(c2)N3CCOCC3)cc1Nc4ncnn5cc (C(=O)NC(=C)c6ccccc6)c(C)c45; O=C(NC(/c1 ccccc1)=C)c6c(c2n(ncnc2Nc3c(ccc(c3)NC(=O )c4cc(ncc4)N5CCOCC5)C)c6)C |
5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-N-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide |
| 36671 |  P39 CHEMBL408150 ZINC000014210675 |
1 | C34 H35 N7 O3 | InChI=1S/C34H35N7O3/c1-22 -12-13-27(38-33(42)26-10- 7-11-28(18-26)40-14-16-44 -17-15-40)19-30(22)39-32- 31-23(2)29(20-41(31)36-21 -35-32)34(43)37-24(3)25-8 -5-4-6-9-25/h4-13,18-21,2 4H,14-17H2,1-3H3,(H,37,43 )(H,38,42)(H,35,36,39)/t2 4-/m0/s1; KYFKCMGDXJZZIZ-DEOSSOPVSA-N |
C[C@H](NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4ccc c(c4)N5CCOCC5)ccc3C)c2c1C)c6ccccc6; O=C( NC(c1ccccc1)C)c6c(c2n(ncnc2Nc3c(ccc(c3)N C(=O)c4cc(ccc4)N5CCOCC5)C)c6)C; Cc1ccc(c c1Nc2c3c(c(cn3ncn2)C(=O)N[C@@H](C)c4cccc c4)C)NC(=O)c5cccc(c5)N6CCOCC6; C[CH](NC( =O)c1cn2ncnc(Nc3cc(NC(=O)c4cccc(c4)N5CCO CC5)ccc3C)c2c1C)c6ccccc6; Cc1ccc(cc1Nc2c 3c(c(cn3ncn2)C(=O)NC(C)c4ccccc4)C)NC(=O) c5cccc(c5)N6CCOCC6 |
5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide |
| 36672 |  P3A |
7 | C41 H78 O15 P2 | InChI=1S/C41H80O15P2/c1-3 -5-7-9-11-13-15-17-19-21- 23-25-27-29-40(45)51-35-3 9(56-41(46)30-28-26-24-22 -20-18-16-14-12-10-8-6-4- 2)36-55-58(49,50)54-34-38 (44)33-53-57(47,48)52-32- 37(43)31-42/h14,16,37-39, 42-44H,3-13,15,17-36H2,1- 2H3,(H,47,48)(H,49,50)/p- 2/b16-14-/t37-,38+,39+/m0 /s1; LXWNXFZWWXODAH-XOLIOQKMSA-L |
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])( =O)OC[C@H](O)CO[P]([O-])(=O)OC[C@@H](O)C O)OC(=O)CCCCCCC\C=C/CCCCCC; CCCCCCCCCCCC CCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](CO P(=O)([O-])OC[C@H](CO)O)O)OC(=O)CCCCCCC/ C=C\CCCCCC; CCCCCCCCCCCCCCCC(=O)OC[CH](C O[P]([O-])(=O)OC[CH](O)CO[P]([O-])(=O)OC [CH](O)CO)OC(=O)CCCCCCCC=CCCCCCC; CCCCCC CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(COP(= O)([O-])OCC(CO)O)O)OC(=O)CCCCCCCC=CCCCCC C; O=C(OC(COP([O-])(=O)OCC(O)COP([O-])(= O)OCC(O)CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCC C\C=C/CCCCCC |
PHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROL |
| 36673 |  P3B ZINC000263620661 |
4 | C15 H19 N2 O9 P | InChI=1S/C15H19N2O9P/c1-7 -13(19)10(9(4-16-7)6-26-2 7(23,24)25)5-17-11-2-8(15 (21)22)3-12(18)14(11)20/h 2,4-5,12,14,16,18-20H,3,6 H2,1H3,(H,21,22)(H2,23,24 ,25)/b10-5-,17-11+/t12-,1 4-/m1/s1; KOPNIGHVUGDBMS-FEZKIMOASA-N |
CC1=C(C(=CN=C2C=C(CC(C2O)O)C(=O)O)C(=CN1 )COP(=O)(O)O)O; CC1=C(O)C(=CN=C2C=C(C[CH ](O)[CH]2O)C(O)=O)C(=CN1)CO[P](O)(O)=O; CC1=C(/C(=C\N=C\2/C=C(C[C@H]([C@@H]2O)O) C(=O)O)/C(=CN1)COP(=O)(O)O)O; OP(O)(=O)O CC1=CNC(C)=C(C1=[C@H]\N=C2/C=C(C(O)=O)CC (C2O)O)O; CC1=C(O)C(=C/N=C2C=C(C[C@@H](O )[C@@H]2O)C(O)=O)\C(=CN1)CO[P](O)(O)=O |
(3E,4R,5R)-4,5-dihydroxy-3-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}cyclohex-1-ene-1-carboxylic acid |
| 36674 |  P3C |
1 | Cl3 Pt | InChI=1S/3ClH.Pt/h3*1H;/q ;;;+2/p-3; UGPIIBDOUTZDQE-UHFFFAOYSA-K |
Cl[Pt-](Cl)Cl | TRICHLOROPLATINATE |
| 36675 |  P3D ZINC000058633064 |
2 | C13 H22 N3 O5 P | InChI=1S/C13H22N3O5P/c1-1 0-13(17)12(8-15-6-4-2-3-5 -14)11(7-16-10)9-21-22(18 ,19)20/h7-8,17H,2-6,9,14H 2,1H3,(H2,18,19,20)/b15-8 +; NPYALNYUWCUSTP-OVCLIPMQSA-N |
Cc1c(c(c(cn1)COP(=O)(O)O)C=NCCCCCN)O; O= P(O)(O)OCc1cnc(c(O)c1/C=N/CCCCCN)C; Cc1c (c(c(cn1)COP(=O)(O)O)\C=N\CCCCCN)O; Cc1n cc(CO[P](O)(O)=O)c(C=NCCCCCN)c1O |
(4-{(E)-[(5-AMINOPENTYL)IMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE; PHOSPHORIC ACID MONO-{4-[(5-AMINO-PENTYLIMINO)-METHYL]-5-HYDROXY-6-METHYL-PYRIDIN-3-YLMETHYL} ESTER |
| 36676 |  P3E |
4 | C28 H36 N10 O18 P3 | InChI=1S/C28H35N10O18P3/c 1-11-3-2-4-12(5-11)6-36-1 0-38(22-16(36)24(44)35-28 (30)33-22)26-20(42)18(40) 14(54-26)8-52-58(47,48)56 -59(49,50)55-57(45,46)51- 7-13-17(39)19(41)25(53-13 )37-9-31-15-21(37)32-27(2 9)34-23(15)43/h2-5,9-10,1 3-14,17-20,25-26,39-42H,6 -8H2,1H3,(H8-,29,30,32,33 ,34,35,43,44,45,46,47,48, 49,50)/p+1/t13-,14-,17-,1 8-,19-,20-,25-,26-/m1/s1; PSRZFZZOIWOJQD-RTZOWOBBSA-O |
Cc1cccc(c1)Cn2c[n+](c3c2C(=O)NC(=N3)N)C4 C(C(C(O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC 5C(C(C(O5)n6cnc7c6N=C(NC7=O)N)O)O)O)O; C c1cccc(c1)Cn2c[n+](c3c2C(=O)NC(=N3)N)[C@ H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(= O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H ](O5)n6cnc7c6N=C(NC7=O)N)O)O)O)O; Cc1ccc c(Cn2c[n+]([CH]3O[CH](CO[P](O)(=O)O[P](O )(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH] 4O)n5cnc6C(=O)NC(=Nc56)N)[CH](O)[CH]3O)c 7N=C(N)NC(=O)c27)c1; Cc1cccc(Cn2c[n+]([C @@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P]( O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5 cnc6C(=O)NC(=Nc56)N)[C@@H](O)[C@H]3O)c7N =C(N)NC(=O)c27)c1 |
[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(3-methylphenyl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate |
| 36677 |  P3F ZINC000058660309 |
2 | C18 H18 F3 N4 O7 P | InChI=1S/C18H18F3N4O7P/c1 -10-16(27)13(11(6-22-10)9 -32-33(29,30)31)7-24-25-1 5(26)8-23-17(28)12-4-2-3- 5-14(12)18(19,20)21/h2-7, 27H,8-9H2,1H3,(H,23,28)(H ,25,26)(H2,29,30,31)/b24- 7+; MCLYFEQPXXDFPI-HCBMXOAHSA-N |
Cc1c(c(c(cn1)COP(=O)(O)O)C=NNC(=O)CNC(=O )c2ccccc2C(F)(F)F)O; Cc1ncc(CO[P](O)(O)= O)c(C=NNC(=O)CNC(=O)c2ccccc2C(F)(F)F)c1O ; Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\NC(=O)CN C(=O)c2ccccc2C(F)(F)F)O; FC(F)(F)c1ccccc 1C(=O)NCC(=O)N/N=C/c2c(cnc(c2O)C)COP(=O) (O)O; Cc1ncc(CO[P](O)(O)=O)c(\C=N\NC(=O) CNC(=O)c2ccccc2C(F)(F)F)c1O |
PHOSPHORIC ACID MONO-(5-HYDROXY-6-METHYL-4-{[2-(2-TRIFLUOROMETHYL-BENZOYLAMINO)-ACETYL]-HYDRAZONOMETHYL}-PYRIDIN-3-YLMETHYL)ESTER |
| 36678 |  P3G DB02343 ZINC000005650744 |
0 | C12 H26 O5 | InChI=1S/C12H26O5/c1-3-13 -5-7-15-9-11-17-12-10-16- 8-6-14-4-2/h3-12H2,1-2H3; HYDWALOBQJFOMS-UHFFFAOYSA-N |
CCOCCOCCOCCOCCOCC; O(CC)CCOCCOCCOCCOCC | 3,6,9,12,15-PENTAOXAHEPTADECANE |
| 36679 |  P3H |
3 | C35 H63 O13 P | InChI=1S/C35H63O13P/c1-3- 5-7-9-11-12-13-14-15-16-1 7-18-20-22-24-29(37)47-27 (25-45-28(36)23-21-19-10- 8-6-4-2)26-46-49(43,44)48 -35-33(41)31(39)30(38)32( 40)34(35)42/h14-15,17-18, 27,30-35,38-42H,3-13,16,1 9-26H2,1-2H3,(H,43,44)/b1 5-14-,18-17-/t27-,30-,31- ,32+,33-,34-,35-/m1/s1; YESDZPSNSSEMJX-BCWHKXFCSA-N |
CCCCCCCC/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O )CCCCCCCC)COP(=O)(O)OC1[C@@H]([C@H](C([C @H]([C@H]1O)O)O)O)O; CCCCCCCC\C=C/C\C=C/ CCCC(=O)O[C@H](COC(=O)CCCCCCCC)CO[P](O)( =O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H ](O)[C@H]1O; CCCCCCCCC=CCC=CCCCC(=O)OC(C OC(=O)CCCCCCCC)COP(=O)(O)OC1C(C(C(C(C1O) O)O)O)O; CCCCCCCCC=CCC=CCCCC(=O)O[CH](CO C(=O)CCCCCCCC)CO[P](O)(=O)O[CH]1[CH](O)[ CH](O)[CH](O)[CH](O)[CH]1O |
[(2~{R})-1-nonanoyloxy-3-[oxidanyl-[(2~{R},3~{S},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (5~{Z},8~{Z})-heptadeca-5,8-dienoate |
| 36680 |  P3I ZINC000584905683 |
4 | C18 H17 Br N4 O4 S | InChI=1S/C18H17BrN4O4S/c1 -22(28(26,27)13-8-3-2-4-9 -13)15-16(20)23(18(25)21- 17(15)24)11-12-7-5-6-10-1 4(12)19/h2-10H,11,20H2,1H 3,(H,21,24,25); WBWGAIAXWOULFV-UHFFFAOYSA-N |
CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2Br)N)S(=O) (=O)c3ccccc3; CN(C1=C(N)N(Cc2ccccc2Br)C( =O)NC1=O)[S](=O)(=O)c3ccccc3 |
N-(6-Amino-1-(2-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide |
| 36681 |  P3J ZINC000004992729 |
1 | C8 H8 N4 | InChI=1S/C8H8N4/c9-8-4-7( 11-12-8)6-2-1-3-10-5-6/h1 -5H,(H3,9,11,12); USKHSGIEOVXVFW-UHFFFAOYSA-N |
Nc1[nH]nc(c1)c2cccnc2; c1cc(cnc1)c2cc([n H]n2)N; n1cccc(c1)c2nnc(c2)N |
3-(PYRIDIN-3-YL)-1H-PYRAZOL-5-AMINE |
| 36682 |  P3K ZINC000002581326 |
2 | C7 H5 N O2 | InChI=1S/C7H5NO2/c8-4-5-2 -1-3-6(9)7(5)10/h1-3,9-10 H; XHPDHXXZBWDFIB-UHFFFAOYSA-N |
Oc1cccc(C#N)c1O; c1cc(c(c(c1)O)O)C#N | 2,3-bis(oxidanyl)benzenecarbonitrile |
| 36683 |  P3L |
3 | C15 H17 Cl N2 O3 | InChI=1S/C15H17ClN2O3/c16 -9-1-2-13-12(7-9)11(4-6-2 1-13)15(20)18-10-3-5-17-1 4(19)8-10/h1-2,7,10-11H,3 -6,8H2,(H,17,19)(H,18,20) /t10-,11-/m1/s1; LDVBEXIDVVQUFA-GHMZBOCLSA-N |
Clc1ccc2OCC[CH](C(=O)N[CH]3CCNC(=O)C3)c2 c1; c1cc2c(cc1Cl)[C@@H](CCO2)C(=O)N[C@@H ]3CCNC(=O)C3; c1cc2c(cc1Cl)C(CCO2)C(=O)N C3CCNC(=O)C3; Clc1ccc2OCC[C@@H](C(=O)N[C @@H]3CCNC(=O)C3)c2c1; O=C1CC(CCN1)NC(=O) C1CCOc2ccc(Cl)cc21 |
(4R)-6-chloro-N-[(4R)-2-oxopiperidin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
| 36684 |  P3N CHEMBL3218845 ZINC000098209284 |
4 | C32 H38 N6 O5 | InChI=1S/C32H38N6O5/c1-20 -11-13-23(14-12-20)19-33- 28(39)24(16-15-22-9-7-6-8 -10-22)34-29(40)25(35-30( 41)26-17-21(2)42-37-26)18 -27-36-31(38-43-27)32(3,4 )5/h6-14,17,24-25H,15-16, 18-19H2,1-5H3,(H,33,39)(H ,34,40)(H,35,41)/t24-,25- /m0/s1; OHMJOYZRJHYMAE-DQEYMECFSA-N |
Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O )[C@H](Cc3nc(no3)C(C)(C)C)NC(=O)c4cc(on4 )C; Cc1onc(c1)C(=O)N[C@@H](Cc2onc(n2)C(C )(C)C)C(=O)N[C@@H](CCc3ccccc3)C(=O)NCc4c cc(C)cc4; Cc1ccc(cc1)CNC(=O)C(CCc2ccccc2 )NC(=O)C(Cc3nc(no3)C(C)(C)C)NC(=O)c4cc(o n4)C; Cc1onc(c1)C(=O)N[CH](Cc2onc(n2)C(C )(C)C)C(=O)N[CH](CCc3ccccc3)C(=O)NCc4ccc (C)cc4; O=C(NCc1ccc(cc1)C)C(NC(=O)C(NC(= O)c2noc(c2)C)Cc3nc(no3)C(C)(C)C)CCc4cccc c4 |
N-[(2S)-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-({(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide |
| 36685 |  P3O CHEMBL5275131 |
14 | C23 H21 Cl N4 O2 | InChI=1S/C23H21ClN4O2/c1- 26-21-9-10-27(13-18-4-2-3 -17(11-18)12-25)15-20(21) 22(29)28(23(26)30)14-16-5 -7-19(24)8-6-16/h2-8,11H, 9-10,13-15H2,1H3; OUHFVWVTONSREN-UHFFFAOYSA-N |
Clc1ccc(cc1)CN1C(=O)C=2CN(CCC=2N(C)C1=O) Cc1cccc(C#N)c1; CN1C2=C(CN(CC2)Cc3cccc(c 3)C#N)C(=O)N(C1=O)Cc4ccc(cc4)Cl; CN1C(=O )N(Cc2ccc(Cl)cc2)C(=O)C3=C1CCN(Cc4cccc(c 4)C#N)C3 |
3-({3-[(4-chlorophenyl)methyl]-1-methyl-2,4-dioxo-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-6(2H)-yl}methyl)benzonitrile |
| 36686 |  P3P ZINC000038788873 |
21 | C5 H13 N O7 P2 | InChI=1S/C5H13NO7P2/c1-14 (9,13-15(10,11)12)3-2-4(6 )5(7)8/h4H,2-3,6H2,1H3,(H ,7,8)(H2,10,11,12)/t4-,14 +/m0/s1; UXRZHSKRCMUNIN-YZSVAWROSA-N |
CP(=O)(CCC(C(=O)O)N)OP(=O)(O)O; C[P@](=O )(CC[C@H](N)C(O)=O)O[P](O)(O)=O; C[P@](= O)(CC[C@@H](C(=O)O)N)OP(=O)(O)O; C[P](=O )(CC[CH](N)C(O)=O)O[P](O)(O)=O; O=P(OP(= O)(O)O)(CCC(C(=O)O)N)C |
(2S)-2-AMINO-4-[METHYL(PHOSPHONOOXY)PHOSPHORYL]BUTANOIC ACID; PHOSPHINOTHRICIN PHOSPHATE |
| 36687 |  P3Q ZINC000058660590 |
0 | C21 H24 N2 O5 | InChI=1S/C21H24N2O5/c22-1 7(21(27)28)11-15-12-18(20 (26)13-19(15)25)23-16(9-1 0-24)8-4-7-14-5-2-1-3-6-1 4/h1-3,5-6,9-10,12-13,17, 23,25-26H,4,7-8,11,22H2,( H,27,28)/b16-9+/t17-/m0/s 1; HHNJWLBRCQJYIP-NDCSFFLDSA-N |
N[C@@H](Cc1cc(NC(/CCCc2ccccc2)=C/C=O)c(O )cc1O)C(O)=O; c1ccc(cc1)CCCC(=CC=O)Nc2cc (c(cc2O)O)CC(C(=O)O)N; N[CH](Cc1cc(NC(CC Cc2ccccc2)=CC=O)c(O)cc1O)C(O)=O; c1ccc(c c1)CCC/C(=C\C=O)/Nc2cc(c(cc2O)O)C[C@@H]( C(=O)O)N |
2-hydroxy-5-{[(1E)-1-(2-oxoethylidene)-4-phenylbutyl]amino}-L-tyrosine |
| 36688 |  P3R CHEMBL5219401 |
1 | C14 H19 N O3 | InChI=1S/C14H19NO3/c1-9-1 1-8-13(18-4)12(17-3)7-10( 11)5-6-15(2)14(9)16/h7-9H ,5-6H2,1-4H3/t9-/m1/s1; PREGEFBQCOFCDI-SECBINFHSA-N |
COc1cc2CCN(C)C(=O)[C@H](C)c2cc1OC; C[C@@ H]1c2cc(c(cc2CCN(C1=O)C)OC)OC; CC1c2cc(c (cc2CCN(C1=O)C)OC)OC; COc1cc2CCN(C)C(=O) [CH](C)c2cc1OC |
(5~{R})-7,8-dimethoxy-3,5-dimethyl-2,5-dihydro-1~{H}-3-benzazepin-4-one |
| 36689 |  P3S ZINC000014653634 |
110 | C5 H13 N2 O6 P S | InChI=1S/C5H13N2O6PS/c1-1 5(13,7-14(10,11)12)3-2-4( 6)5(8)9/h4H,2-3,6H2,1H3,( H,8,9)(H2,10,11,12)/t4-,1 5-/m0/s1; QQFOFBSCSWFFPB-NMAPHRJESA-N |
O=P(N=S(=O)(CCC(N)C(=O)O)C)(O)O; C[S](=O )(CC[C@H](N)C(O)=O)=N[P](O)(O)=O; C[S](= O)(CC[CH](N)C(O)=O)=N[P](O)(O)=O; CS(=NP (=O)(O)O)(=O)CCC(C(=O)O)N; C[S@](=NP(=O) (O)O)(=O)CC[C@@H](C(=O)O)N |
L-METHIONINE-S-SULFOXIMINE PHOSPHATE |
| 36690 |  P3T ZINC000016052386 |
2 | C12 H22 N3 O5 P | InChI=1S/C12H22N3O5P/c1-9 -12(16)11(7-14-5-3-2-4-13 )10(6-15-9)8-20-21(17,18) 19/h6,14,16H,2-5,7-8,13H2 ,1H3,(H2,17,18,19); MXDZELCJRJAUEI-UHFFFAOYSA-N |
Cc1ncc(CO[P](O)(O)=O)c(CNCCCCN)c1O; O=P( O)(O)OCc1cnc(c(O)c1CNCCCCN)C; Cc1c(c(c(c n1)COP(=O)(O)O)CNCCCCN)O |
(4-{[(4-AMINOBUTYL)AMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE; PHOSPHORIC ACID MONO-{4-[(4-AMINO-BUTYLAMINO)-METHYL]-5-HYDROXY-6-METHYL-PYRIDIN-3-YLMETHYL} ESTER |
| 36691 |  P3U CHEMBL3357685 DB15567 ZINC000098209285 |
1 | C24 H30 Cl2 N6 O2 S | InChI=1S/C24H30Cl2N6O2S/c 1-15(2)11-21-23(16(3)31(4 )29-21)30-35(33,34)24-19( 25)12-18(13-20(24)26)17-5 -6-28-22(14-17)32-9-7-27- 8-10-32/h5-6,12-15,27,30H ,7-11H2,1-4H3; WKTSLVQYGBHNRV-UHFFFAOYSA-N |
Cc1c(c(nn1C)CC(C)C)NS(=O)(=O)c2c(cc(cc2C l)c3ccnc(c3)N4CCNCC4)Cl; Clc3cc(c2ccnc(N 1CCNCC1)c2)cc(Cl)c3S(=O)(=O)Nc4c(n(nc4CC (C)C)C)C; CC(C)Cc1nn(C)c(C)c1N[S](=O)(=O )c2c(Cl)cc(cc2Cl)c3ccnc(c3)N4CCNCC4 |
2,6-DICHLORO-4-(2-PIPERAZIN-1-YLPYRIDIN-4-YL)-N-(1,5-DIMETHYL,3-ISOBUTYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE |
| 36692 |  P3V |
2 | C27 H37 N3 O8 S | InChI=1S/C27H37N3O8S/c1-1 8(2)15-30(39(34,35)21-10- 8-20(28)9-11-21)17-27(32, 33)24(14-19-6-4-3-5-7-19) 29-26(31)38-23-16-37-25-2 2(23)12-13-36-25/h3-11,18 ,22-25,32-33H,12-17,28H2, 1-2H3,(H,29,31)/t22-,23-, 24-,25+/m0/s1; SEALSZHQUGCNGX-OJJQZRKESA-N |
CC(C)CN(CC(O)(O)[CH](Cc1ccccc1)NC(=O)O[C H]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(N)c c4; CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3 C2CCO3)(O)O)S(=O)(=O)c4ccc(cc4)N; CC(C)C N(CC([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@ H]3[C@H]2CCO3)(O)O)S(=O)(=O)c4ccc(cc4)N; CC(C)CN(CC(O)(O)[C@H](Cc1ccccc1)NC(=O)O [C@H]2CO[C@H]3OCC[C@@H]23)[S](=O)(=O)c4c cc(N)cc4; Nc1ccc(cc1)S(=O)(=O)N(CC(C(Cc2 ccccc2)NC(=O)OC3C4C(OC3)OCC4)(O)O)CC(C)C |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3,3-dihydroxy-1-phenylbutan-2-yl]carbamate |
| 36693 |  P3X |
3 | C35 H68 N O8 P | InChI=1S/C35H68NO8P/c1-3- 5-7-9-11-13-15-16-18-20-2 2-24-26-28-35(38)44-33(32 -43-45(39,40)42-30-29-36) 31-41-34(37)27-25-23-21-1 9-17-14-12-10-8-6-4-2/h10 ,12,33H,3-9,11,13-32,36H2 ,1-2H3,(H,39,40)/b12-10+/ t33-/m1/s1; IXIBEFBSXYIWMP-VCRBCDDQSA-N |
CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC CC=CCCCC)COP(=O)(O)OCCN; CCCCCCCCCCCCCCC C(=O)O[CH](COC(=O)CCCCCCCC=CCCCC)CO[P](O )(=O)OCCN; NCCOP(O)(=O)OCC(COC(=O)CCCCCC C\C=C\CCCC)OC(=O)CCCCCCCCCCCCCCC; CCCCCC CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCC)C OP(=O)(O)OCCN; CCCCCCCCCCCCCCCC(=O)O[C@H ](COC(=O)CCCCCCC/C=C/CCCC)CO[P](O)(=O)OC CN |
(5E,17R,20S)-23-amino-20-hydroxy-14,20-dioxo-15,19,21-trioxa-20lambda~5~-phosphatricos-5-en-17-yl hexadecanoate |
| 36694 |  P3Y CHEMBL1235103 DB08350 ZINC000016052463 |
3 | C22 H20 N4 O2 | InChI=1S/C22H20N4O2/c1-26 (2)22(27)16-8-14(10-23-11 -16)15-9-18-19(13-25-21(1 8)24-12-15)17-6-4-5-7-20( 17)28-3/h4-13H,1-3H3,(H,2 4,25); GYQRHHQPEMOLKH-UHFFFAOYSA-N |
COc1ccccc1c2c[nH]c3ncc(cc23)c4cncc(c4)C( =O)N(C)C; O=C(N(C)C)c4cc(c1cc2c(nc1)ncc2 c3ccccc3OC)cnc4; CN(C)C(=O)c1cc(cnc1)c2c c3c(c[nH]c3nc2)c4ccccc4OC |
5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE |
| 36695 |  P3Z ZINC000000057202 |
1 | C15 H16 N2 O2 | InChI=1S/C15H16N2O2/c1-19 -14-6-4-12(5-7-14)15(18,1 1-2-3-11)13-8-16-10-17-9- 13/h4-11,18H,2-3H2,1H3/t1 5-/m0/s1; HUTDUHSNJYTCAR-HNNXBMFYSA-N |
COc1ccc(cc1)C(c2cncnc2)(C3CC3)O; COc1ccc (cc1)[C@](c2cncnc2)(C3CC3)O; COc1ccc(cc1 )[C@@](O)(C2CC2)c3cncnc3; COc1ccc(cc1)[C ](O)(C2CC2)c3cncnc3; OC(c1cncnc1)(c2ccc( OC)cc2)C3CC3 |
(S)-cyclopropyl(4-methoxyphenyl)pyrimidin-5-ylmethanol |
| 36696 |  P40 CHEMBL494072 DB08351 ZINC000020148990 |
1 | C25 H29 N5 O2 | InChI=1S/C25H29N5O2/c1-17 -2-3-19(24(31)28-21-5-6-2 1)15-22(17)18-4-7-23-20(1 4-18)16-27-25(29-23)26-8- 9-30-10-12-32-13-11-30/h2 -4,7,14-16,21H,5-6,8-13H2 ,1H3,(H,28,31)(H,26,27,29 ); MNEXDVSJIUQQRH-UHFFFAOYSA-N |
Cc1ccc(cc1c2ccc3nc(NCCN4CCOCC4)ncc3c2)C( =O)NC5CC5; Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N CCN4CCOCC4)C(=O)NC5CC5; O=C(NC1CC1)c2cc( c(cc2)C)c4ccc3nc(ncc3c4)NCCN5CCOCC5 |
N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide; N-cyclopropyl-4-methyl-3-(2-((2-(4-morpholinyl)ethyl)amino)-6-quinazolinyl)benzamide |
| 36697 |  P41 CHEMBL257341 DB08352 ZINC000016052868 |
2 | C19 H16 F N3 O S | InChI=1S/C19H16FN3OS/c1-1 1(2)22-19-23-15-8-7-12(9- 16(15)25-19)18-17(21-10-2 4-18)13-5-3-4-6-14(13)20/ h3-11H,1-2H3,(H,22,23); FQYJTHIYAQQJAB-UHFFFAOYSA-N |
CC(C)Nc1sc2cc(ccc2n1)c3ocnc3c4ccccc4F; F c1ccccc1c4ncoc4c2ccc3nc(sc3c2)NC(C)C; CC (C)Nc1nc2ccc(cc2s1)c3c(nco3)c4ccccc4F |
6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine |
| 36698 |  P42 |
9 | C42 H88 N O8 P | InChI=1S/C42H88NO8P/c1-6- 8-10-12-14-16-18-20-21-23 -24-26-28-30-32-34-41(44) 48-38-40(39-50-52(46,47)4 9-37-36-43(3,4)5)51-42(45 )35-33-31-29-27-25-22-19- 17-15-13-11-9-7-2/h40-42, 44-45H,6-39H2,1-5H3/t40-, 41+,42+/m0/s1; LYKCEYRWVRQPBD-FEWNNGCESA-N |
CCCCCCCCCCCCCCCCC[C@H](O)OC[C@@H](CO[P]( [O-])(=O)OCC[N+](C)(C)C)O[C@@H](O)CCCCCC CCCCCCCCC; CCCCCCCCCCCCCCCCC[CH](O)OC[CH ](CO[P]([O-])(=O)OCC[N+](C)(C)C)O[CH](O) CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCCC(O)OC C(COP(=O)([O-])OCC[N+](C)(C)C)OC(CCCCCCC CCCCCCCC)O; CCCCCCCCCCCCCCCCC[C@H](O)OC[ C@@H](COP(=O)([O-])OCC[N+](C)(C)C)O[C@H] (CCCCCCCCCCCCCCC)O; [O-]P(=O)(OCC[N+](C) (C)C)OCC(OC(O)CCCCCCCCCCCCCCC)COC(O)CCCC CCCCCCCCCCCCC |
(2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate; 1-Stearoyl-2-Palmitoyl-sn-Glycero-3-Phosphocholine |
| 36699 |  P43 CHEMBL272997 ZINC000003962193 |
6 | C25 H23 F N2 O2 | InChI=1S/C25H23FN2O2/c26- 23-7-2-1-5-20(23)8-9-22-1 0-11-24(30-22)25(29)28-14 -12-19(13-15-28)21-6-3-4- 18(16-21)17-27/h1-7,10-11 ,16,19H,12-15,17,27H2; FTLQSQQQFMZPKO-UHFFFAOYSA-N |
NCc1cccc(c1)C2CCN(CC2)C(=O)c3oc(cc3)C#Cc 4ccccc4F; O=C(c2oc(C#Cc1ccccc1F)cc2)N4CC C(c3cccc(c3)CN)CC4; c1ccc(c(c1)C#Cc2ccc( o2)C(=O)N3CCC(CC3)c4cccc(c4)CN)F |
1-{3-[1-({5-[(2-fluorophenyl)ethynyl]furan-2-yl}carbonyl)piperidin-4-yl]phenyl}methanamine |
| 36700 |  P44 CHEMBL438303 DB08353 ZINC000016052397 |
1 | C19 H21 N7 | InChI=1S/C19H21N7/c20-11- 15-13-22-26-17(15)24-18(2 1-12-14-7-3-1-4-8-14)25-1 9(26)23-16-9-5-2-6-10-16/ h2,5-6,9-10,13-14H,1,3-4, 7-8,12H2,(H2,21,23,24,25); NCVMTHVSAJMOPI-UHFFFAOYSA-N |
c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)NCC4CCCCC4; N#Cc4cnn1c4nc(nc1Nc2ccccc2)NCC3CCCCC3; N#Cc1cnn2c(Nc3ccccc3)nc(NCC4CCCCC4)nc12 |
2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE |
| 36701 |  P45 CHEMBL230347 DB08354 ZINC000016052398 |
1 | C19 H14 Cl N7 | InChI=1S/C19H14ClN7/c20-1 5-8-6-13(7-9-15)11-22-18- 25-17-14(10-21)12-23-27(1 7)19(26-18)24-16-4-2-1-3- 5-16/h1-9,12H,11H2,(H2,22 ,24,25,26); QCVULERVJOYHCP-UHFFFAOYSA-N |
Clc1ccc(CNc2nc(Nc3ccccc3)n4ncc(C#N)c4n2) cc1; c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)NCc4cc c(cc4)Cl; Clc1ccc(cc1)CNc3nc2c(C#N)cnn2c (n3)Nc4ccccc4 |
2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE |
| 36702 |  P46 ZINC000584905678 |
1 | C23 H27 N5 O6 S | InChI=1S/C23H27N5O6S/c24- 19(11-22(25)31)23(32)27-7 -5-16(6-8-27)26-17-2-1-14 -12-28(13-15(14)9-17)35(3 3,34)21-4-3-18(29)10-20(2 1)30/h1-4,9-10,12-13,16,1 9,26,29-30H,5-8,11,24H2,( H2,25,31)/t19-/m0/s1; HAMJZOUVHDEUSM-IBGZPJMESA-N |
c1(cc(c(cc1)S(=O)(=O)n3cc2cc(ccc2c3)NC4C CN(C(C(CC(=O)N)N)=O)CC4)O)O; c1cc2cn(cc2 cc1NC3CCN(CC3)C(=O)C(CC(=O)N)N)S(=O)(=O) c4ccc(cc4O)O; c1cc2cn(cc2cc1NC3CCN(CC3)C (=O)[C@H](CC(=O)N)N)S(=O)(=O)c4ccc(cc4O) O; N[CH](CC(N)=O)C(=O)N1CCC(CC1)Nc2ccc3c n(cc3c2)[S](=O)(=O)c4ccc(O)cc4O; N[C@@H] (CC(N)=O)C(=O)N1CCC(CC1)Nc2ccc3cn(cc3c2) [S](=O)(=O)c4ccc(O)cc4O |
(3S)-3-amino-4-[4-({2-[(2,4-dihydroxyphenyl)sulfonyl]-2H-isoindol-5-yl}amino)piperidin-1-yl]-4-oxobutanamide |
| 36703 |  P47 CHEMBL539134 ZINC000042923782 |
1 | C17 H15 Cl O2 | InChI=1S/C17H15ClO2/c18-1 6-10-7-13(8-11-16)6-9-15( 12-17(19)20)14-4-2-1-3-5- 14/h1-5,7-8,10-12H,6,9H2, (H,19,20)/b15-12-; LLJYFDRQFPQGNY-QINSGFPZSA-N |
Clc1ccc(cc1)CCC(\c2ccccc2)=C\C(=O)O; c1c cc(cc1)/C(=C\C(=O)O)/CCc2ccc(cc2)Cl; OC( =O)C=C(CCc1ccc(Cl)cc1)c2ccccc2; OC(=O)\C =C(CCc1ccc(Cl)cc1)/c2ccccc2; c1ccc(cc1)C (=CC(=O)O)CCc2ccc(cc2)Cl |
(2Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid |
| 36704 |  P48 CHEMBL564829 DB16232 ZINC000053119602 |
4 | C25 H32 N8 O | InChI=1S/C25H32N8O/c1-25( 2)14-16-15-27-24(29-20(16 )22-19(25)21(23(34)26-3)3 0-32(22)5)28-17-6-8-18(9- 7-17)33-12-10-31(4)11-13- 33/h6-9,15H,10-14H2,1-5H3 ,(H,26,34)(H,27,28,29); RXZMYLDMFYNEIM-UHFFFAOYSA-N |
CNC(=O)c1nn(C)c2c3nc(Nc4ccc(cc4)N5CCN(C) CC5)ncc3CC(C)(C)c12; O=C(NC)c3nn(c2c1nc( ncc1CC(c23)(C)C)Nc4ccc(cc4)N5CCN(C)CC5)C ; CC1(Cc2cnc(nc2-c3c1c(nn3C)C(=O)NC)Nc4c cc(cc4)N5CCN(CC5)C)C |
N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE |
| 36705 |  P49 CHEMBL1098060 DB08355 ZINC000039001795 |
2 | C17 H15 N5 O2 | InChI=1S/C17H15N5O2/c1-22 -15-12(14(21-22)16(23)24) 8-7-10-9-18-17(20-13(10)1 5)19-11-5-3-2-4-6-11/h2-6 ,9H,7-8H2,1H3,(H,23,24)(H ,18,19,20); ZOBRPBVIEUWYJR-UHFFFAOYSA-N |
Cn1c-2c(c(n1)C(=O)O)CCc3c2nc(nc3)Nc4cccc c4; O=C(O)c2nn(c3c1nc(ncc1CCc23)Nc4ccccc 4)C; Cn1nc(C(O)=O)c2CCc3cnc(Nc4ccccc4)nc 3c12 |
1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid |
| 36706 |  P4A CHEMBL192894 DB08356 ZINC000004641406 |
3 | C17 H16 N2 O3 | InChI=1S/C17H16N2O3/c1-10 -16(11-3-6-13(22-2)7-4-11 )17(19-18-10)14-8-5-12(20 )9-15(14)21/h3-9,20-21H,1 -2H3,(H,18,19); GSBFARPNIZUMHA-UHFFFAOYSA-N |
COc1ccc(cc1)c2c(C)[nH]nc2c3ccc(O)cc3O; O c3ccc(c2nnc(c2c1ccc(OC)cc1)C)c(O)c3; Cc1 c(c(n[nH]1)c2ccc(cc2O)O)c3ccc(cc3)OC |
4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol; 3-(2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-5-methyl-1h-pyrazole |
| 36707 |  P4B |
6 | C6 H14 N2 O3 | InChI=1S/C6H14N2O3/c1-4(9 )8-5(2-3-7)6(10)11/h4-5,8 -9H,2-3,7H2,1H3,(H,10,11) /t4-,5+/m0/s1; WSKLDXXLKTXXMW-CRCLSJGQSA-N |
C[C@H](O)N[C@H](CCN)C(O)=O; C[C@@H](N[C@ H](CCN)C(=O)O)O; CC(NC(CCN)C(=O)O)O; C[C H](O)N[CH](CCN)C(O)=O |
(2~{R})-4-azanyl-2-[[(1~{S})-1-oxidanylethyl]amino]butanoic acid |
| 36708 |  P4C ZINC000005828795 |
0 | C14 H28 O8 | InChI=1S/C14H28O8/c15-1-3 -17-5-7-19-9-11-21-13-14- 22-12-10-20-8-6-18-4-2-16 /h1,16H,2-14H2; CTLLATPOKUEFSQ-UHFFFAOYSA-N |
C(COCCOCCOCCOCCOCCOCC=O)O; OCCOCCOCCOCCO CCOCCOCC=O; O=CCOCCOCCOCCOCCOCCOCCO |
O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL; POLYETHYLENE 400 |
| 36709 |  P4D ZINC000066166520 |
1 | C13 H18 N O7 P | InChI=1S/C13H18NO7P/c14-1 1(5-8-1-3-10(15)4-2-8)22( 20,21)7-9(13(18)19)6-12(1 6)17/h1-4,9,11,15H,5-7,14 H2,(H,16,17)(H,18,19)(H,2 0,21)/t9-,11+/m0/s1; UESSIRUCJXFQBC-GXSJLCMTSA-N |
c1cc(ccc1C[C@H](N)P(=O)(C[C@H](CC(=O)O)C (=O)O)O)O; N[C@@H](Cc1ccc(O)cc1)[P](O)(= O)C[C@H](CC(O)=O)C(O)=O; N[CH](Cc1ccc(O) cc1)[P](O)(=O)C[CH](CC(O)=O)C(O)=O; O=C( O)C(CC(=O)O)CP(=O)(O)C(N)Cc1ccc(O)cc1; c 1cc(ccc1CC(N)P(=O)(CC(CC(=O)O)C(=O)O)O)O |
(2R)-2-{[(S)-[(1R)-1-amino-2-(4-hydroxyphenyl)ethyl](hydroxy)phosphoryl]methyl}butanedioic acid; L-TYR-D-ASP PHOSPHINATE PSEUDODIPEPTIDE |
| 36710 |  P4E ZINC000002385776 |
0 | C11 H13 N O2 | InChI=1S/C11H13NO2/c12-10 (11(13)14)8-4-7-9-5-2-1-3 -6-9/h1-7,10H,8,12H2,(H,1 3,14)/b7-4+/t10-/m0/s1; MCGSKGBMVBECNS-QBBOHKLWSA-N |
c1ccc(cc1)C=CCC(C(=O)O)N; N[C@@H](C\C=C\ c1ccccc1)C(O)=O; c1ccc(cc1)C=CC[C@@H](C( =O)O)N; O=C(O)C(N)C/C=C/c1ccccc1; N[CH]( CC=Cc1ccccc1)C(O)=O |
(2S,4E)-2-amino-5-phenylpent-4-enoic acid |
| 36711 |  P4F ZINC000098209286 |
2 | C5 H8 F2 N O6 P | InChI=1S/C5H8F2NO6P/c6-5( 7,15(12,13)14)3(9)1-2(8)4 (10)11/h2H,1,8H2,(H,10,11 )(H2,12,13,14)/t2-/m1/s1; WIAFNWXXJIHDPS-UWTATZPHSA-N |
C([C@H](C(=O)O)N)C(=O)C(F)(F)P(=O)(O)O; N[C@H](CC(=O)C(F)(F)[P](O)(O)=O)C(O)=O; O=C(C(F)(F)P(=O)(O)O)CC(C(=O)O)N; N[CH]( CC(=O)C(F)(F)[P](O)(O)=O)C(O)=O; C(C(C(= O)O)N)C(=O)C(F)(F)P(=O)(O)O |
5,5-difluoro-4-oxo-5-phosphono-D-norvaline |
| 36712 |  P4G CHEMBL1235106 DB08357 ZINC000002041052 |
0 | C8 H18 O3 | InChI=1S/C8H18O3/c1-3-9-5 -7-11-8-6-10-4-2/h3-8H2,1 -2H3; RRQYJINTUHWNHW-UHFFFAOYSA-N |
O(CCOCCOCC)CC; CCOCCOCCOCC | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE |
| 36713 |  P4H CHEMBL3182608 ZINC000002512313 |
3 | C13 H10 O5 | InChI=1S/C13H10O5/c14-8-2 -3-9(11(16)6-8)13(18)7-1- 4-10(15)12(17)5-7/h1-6,14 -17H; UQQYIAVMUUJWGX-UHFFFAOYSA-N |
Oc1ccc(c(O)c1)C(=O)c2ccc(O)c(O)c2; c1cc( c(cc1C(=O)c2ccc(cc2O)O)O)O |
[2,4-bis(oxidanyl)phenyl]-[3,4-bis(oxidanyl)phenyl]methanone |
| 36714 |  P4I |
14 | C22 H19 Br N4 O | InChI=1S/C22H19BrN4O/c23- 19-6-4-16(5-7-19)13-27-15 -25-21-8-9-26(14-20(21)22 (27)28)12-18-3-1-2-17(10- 18)11-24/h1-7,10,15H,8-9, 12-14H2; OMSVNMQQTCODGS-UHFFFAOYSA-N |
c1cc(cc(c1)C#N)CN2CCC3=C(C2)C(=O)N(C=N3) Cc4ccc(cc4)Br; Brc1ccc(cc1)CN1C=NC=2CCN( Cc3cccc(C#N)c3)CC=2C1=O; Brc1ccc(CN2C=NC 3=C(CN(CC3)Cc4cccc(c4)C#N)C2=O)cc1 |
3-({3-[(4-bromophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile |
| 36715 |  P4J |
1 | C8 H9 N2 O22 V6 | InChI=1S/C8H9N2O4.15H2O.3 O.6V/c11-3-5-6(12)7(13)8( 14-5)10-2-1-9-4-10;;;;;;; ;;;;;;;;;;;;;;;;;/h1-2,4- 8H,3H2;15*1H2;;;;;;;;;/q- 3;;;;;;;;;;;;;;;;;;;+2;4* +3;+4/p-15/t5-,6+,7+,8+;; ;;;;;;;;;;;;;;;;;;;;;;/m0 ......................../ s1; OAPMYOKMHVXLOA-RERAPKNWSA-A |
c1cn(cn1)C2C(C(C(O2)CO[V]([O])([O])O[V]( [O])([O])[O])O[V]([O])([O])O[V]([O])([O] )O[V]([O])([O])[O])O[V]([O])([O])[O]; C1 (C(O[V](O)(O)O)C(O[V](O)(O)O[V](O)(O)O[V ](O)(O)O)C(CO[V](O)(O)O[V](O)(O)O)O1)n2c cnc2; c1cn(cn1)[C@H]2[C@@H]([C@@H]([C@@H ](O2)CO[V]([O])([O])O[V]([O])([O])[O])O[ V]([O])([O])O[V]([O])([O])O[V]([O])([O]) [O])O[V]([O])([O])[O]; O.O.O.O.O.O.O.O.O .O.O.O.O.O.O.[V]O[V]OC[CH]1O[CH]([CH](O[ V])[CH]1O[V]O[V]O[V])n2ccnc2; O.O.O.O.O. O.O.O.O.O.O.O.O.O.O.[V]O[V]OC[C@@H]1O[C@ H]([C@H](O[V])[C@@H]1O[V]O[V]O[V])n2ccnc 2 |
[(2~{R},3~{R},4~{R},5~{S})-2-(5-azanylimidazol-1-yl)-4-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]oxy-5-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxymethyl]oxolan-3-yl]oxy-tris(oxidanyl)vanadium |
| 36716 |  P4K |
31 | C30 H62 O15 | InChI=1S/C30H62O15/c1-2-3 2-5-6-34-9-10-36-13-14-38 -17-18-40-21-22-42-25-26- 44-29-30-45-28-27-43-24-2 3-41-20-19-39-16-15-37-12 -11-35-8-7-33-4-3-31/h31H ,2-30H2,1H3; WWPGFZAAWXFBTF-UHFFFAOYSA-N |
CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC COCCO; OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC OCCOCCOCCOCC |
polyethylene glycol; 3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaoxatetratetracontan-1-ol |
| 36717 |  P4L CHEMBL1235107 ZINC000013467796 |
1 | C12 H11 N3 O S | InChI=1S/C12H11N3OS/c16-1 2-8-7-17-6-4-9(8)14-11(15 -12)10-3-1-2-5-13-10/h1-3 ,5H,4,6-7H2,(H,14,15,16); RBVWEFJWVRUKIS-UHFFFAOYSA-N |
n1c(O)c3c(nc1c2ncccc2)CCSC3; c1ccnc(c1)c 2nc3c(c(n2)O)CSCC3; Oc1nc(nc2CCSCc12)c3c cccn3 |
2-pyridin-2-yl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol |
| 36718 |  P4M CHEMBL5219474 |
1 | C13 H15 N O3 | InChI=1S/C13H15NO3/c1-14- 5-4-9-6-11(16-2)12(17-3)7 -10(9)8-13(14)15/h4-7H,8H 2,1-3H3; SNBSBSFGIKHBLT-UHFFFAOYSA-N |
CN1C=Cc2cc(c(cc2CC1=O)OC)OC; COc1cc2CC(= O)N(C)C=Cc2cc1OC |
7,8-dimethoxy-3-methyl-1~{H}-3-benzazepin-2-one; 7,8-dimethoxy-3-methyl-1,3-dihydro-2H-benzo[d]azepin-2-one |
| 36719 |  P4N CHEMBL514554 ZINC000035636073 |
1 | C22 H20 F3 N5 O3 S | InChI=1S/C22H20F3N5O3S/c1 -34(32,33)16-4-2-3-13(9-1 6)11-26-20-17(22(23,24)25 )12-27-21(30-20)28-15-6-7 -18-14(10-15)5-8-19(31)29 -18/h2-4,6-7,9-10,12H,5,8 ,11H2,1H3,(H,29,31)(H2,26 ,27,28,30); HESLKTSGTIBHJU-UHFFFAOYSA-N |
C[S](=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)C Cc4c3)ncc2C(F)(F)F)c1; CS(=O)(=O)c1cccc( c1)CNc2c(cnc(n2)Nc3ccc4c(c3)CCC(=O)N4)C( F)(F)F |
6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1~{H}-quinolin-2-one |
| 36720 |  P4O CHEMBL226403 DB08358 ZINC000016052855 |
27 | C21 H16 N4 O | InChI=1S/C21H16N4O/c26-21 -16-11-20(25-18(16)6-8-23 -21)14-5-7-22-19(10-14)15 -9-13-3-1-2-4-17(13)24-12 -15/h1-5,7,9-12,25H,6,8H2 ,(H,23,26); OWFLADWRSCINST-UHFFFAOYSA-N |
c1ccc2c(c1)cc(cn2)c3cc(ccn3)c4cc5c([nH]4 )CCNC5=O; O=C1NCCc2[nH]c(cc12)c3ccnc(c3) c4cnc5ccccc5c4; O=C2c1cc(nc1CCN2)c5ccnc( c3cc4ccccc4nc3)c5 |
2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE |
| 36721 |  P4P CHEMBL1182234 ZINC000008234386 |
12 | C24 H20 P | InChI=1S/C24H20P/c1-5-13- 21(14-6-1)25(22-15-7-2-8- 16-22,23-17-9-3-10-18-23) 24-19-11-4-12-20-24/h1-20 H/q+1; USFPINLPPFWTJW-UHFFFAOYSA-N |
c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4cccc c4; c1c(cccc1)[P+](c2ccccc2)(c3ccccc3)c4 ccccc4 |
TETRAPHENYLPHOSPHONIUM |
| 36722 |  P4Q |
1 | C7 H6 N4 | InChI=1S/C7H6N4/c8-7-6-5( 10-4-11-7)2-1-3-9-6/h1-4H ,(H2,8,10,11); DGXAOSOMFMODCF-UHFFFAOYSA-N |
Nc1ncnc2cccnc12; c1cc2c(c(ncn2)N)nc1 | pyrido[3,2-d]pyrimidin-4-amine |
| 36723 |  P4R |
5 | C20 H14 Cl N3 O3 | InChI=1S/C20H14ClN3O3/c21 -13-5-6-17-15(9-13)20(7-8 -27-17)18(25)24(19(26)23- 20)16-11-22-10-12-3-1-2-4 -14(12)16/h1-6,9-11H,7-8H 2,(H,23,26)/t20-/m0/s1; FSSOHAWMSBZQQQ-FQEVSTJZSA-N |
c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5) Cl)NC3=O; Clc1ccc2OCCC3(NC(=O)N(C3=O)c3c ncc4ccccc43)c2c1; c1ccc2c(c1)cncc2N3C(=O )[C@@]4(CCOc5c4cc(cc5)Cl)NC3=O; Clc1ccc2 OCC[C@]3(NC(=O)N(C3=O)c4cncc5ccccc45)c2c 1; Clc1ccc2OCC[C]3(NC(=O)N(C3=O)c4cncc5c cccc45)c2c1 |
(1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione |
| 36724 |  P4S ZINC000005350761 |
7 | C24 H32 O5 | InChI=1S/C24H32O5/c1-21-8 -5-15(25)12-23(21,27)10-7 -17-16(21)6-9-22(2)18(11- 19-24(17,22)29-19)14-3-4- 20(26)28-13-14/h3-4,13,15 -19,25,27H,5-12H2,1-2H3/t 15-,16-,17+,18+,19+,21+,2 2+,23-,24+/m0/s1; JMNQTHQLNRILMH-OBBGIPBRSA-N |
CC12CCC(CC1(CCC3C2CCC4(C35C(O5)CC4C6=COC (=O)C=C6)C)O)O; C[C]12CC[CH](O)C[C]1(O)C C[CH]3[CH]2CC[C]4(C)[CH](C[CH]5O[C]345)C 6=COC(=O)C=C6; C[C@]12CC[C@H](O)C[C@@]1( O)CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](C[C@H] 5O[C@@]345)C6=COC(=O)C=C6; C[C@]12CC[C@@ H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@]35 [C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O)O; C 12(C)CCC(CC1(O)CCC6C2CCC4(C(C3=COC(=O)C= C3)CC5C46O5)C)O |
(3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide |
| 36725 |  P4T CHEMBL1235108 DB08359 ZINC000000153609 |
2 | C12 H12 N2 O S | InChI=1S/C12H12N2OS/c1-8- 11(9(2)15)16-12(13-8)14-1 0-6-4-3-5-7-10/h3-7H,1-2H 3,(H,13,14); UIIUOFPGDKBCEZ-UHFFFAOYSA-N |
CC(=O)c1sc(Nc2ccccc2)nc1C; O=C(c1sc(nc1C )Nc2ccccc2)C; Cc1c(sc(n1)Nc2ccccc2)C(=O) C |
2-PHENYLAMINO-4-METHYL-5-ACETYL THIAZOLE; 1-[4-methyl-2-(phenylamino)-1,3-thiazol-5-yl]ethanone |
| 36726 |  P4U |
0 | C12 H19 N2 O9 P | InChI=1S/C12H19N2O9P/c1-2 -5-21-8-3-4-14(12(17)13-8 )11-10(16)9(15)7(23-11)6- 22-24(18,19)20/h3-4,7,9-1 1,15-16H,2,5-6H2,1H3,(H2, 18,19,20)/t7-,9-,10-,11-/ m1/s1; YIPJYDZHQZNRLV-QCNRFFRDSA-N |
CCCOC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]( [C@H](O2)COP(=O)(O)O)O)O; CCCOC1=NC(=O)N (C=C1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H] (O)[C@H]2O; CCCOC1=NC(=O)N(C=C1)C2C(C(C( O2)COP(=O)(O)O)O)O; CCCOC1=NC(=O)N(C=C1) [CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O |
4-propyl, uridine-5'-monophosphate |
| 36727 |  P4V CHEMBL2334889 ZINC000019535046 |
1 | C21 H25 N O4 | InChI=1S/C21H25NO4/c1-23- 18-6-5-13-9-17-15-11-20(2 5-3)19(24-2)10-14(15)7-8- 22(17)12-16(13)21(18)26-4 /h5-6,10-11,17H,7-9,12H2, 1-4H3/t17-/m1/s1; AEQDJSLRWYMAQI-QGZVFWFLSA-N |
COc1cc2CCN3Cc4c(C[CH]3c2cc1OC)ccc(OC)c4O C; COc1c2CN3CCc4cc(OC)c(OC)cc4C3Cc2ccc1O C; COc1ccc2c(c1OC)CN3CCc4cc(c(cc4C3C2)OC )OC; COc1ccc2c(c1OC)CN3CCc4cc(c(cc4[C@H] 3C2)OC)OC; COc1cc2CCN3Cc4c(C[C@@H]3c2cc1 OC)ccc(OC)c4OC |
rotundine |
| 36728 |  P4W ZINC000036662092 |
2 | C11 H12 N2 O2 S | InChI=1S/C11H12N2O2S/c1-1 3(2)16(14,15)11-5-3-4-9-8 -12-7-6-10(9)11/h3-8H,1-2 H3; MRHJXMWWAQWJDD-UHFFFAOYSA-N |
CN(C)S(=O)(=O)c1cccc2c1ccnc2; CN(C)[S](= O)(=O)c1cccc2cnccc12 |
~{N},~{N}-dimethylisoquinoline-5-sulfonamide |
| 36729 |  P4X CHEMBL5219602 |
1 | C18 H21 N3 O3 | InChI=1S/C18H21N3O3/c1-11 -14-5-4-12(17(23)10-22)6- 15(14)16(9-20(2)18(11)24) 13-7-19-21(3)8-13/h4-9,11 ,17,22-23H,10H2,1-3H3/t11 -,17+/m1/s1; CJVJSGBELMMESS-DIFFPNOSSA-N |
CC1c2ccc(cc2C(=CN(C1=O)C)c3cnn(c3)C)C(CO )O; C[CH]1C(=O)N(C)C=C(c2cnn(C)c2)c3cc(c cc13)[CH](O)CO; C[C@H]1C(=O)N(C)C=C(c2cn n(C)c2)c3cc(ccc13)[C@@H](O)CO; C[C@@H]1c 2ccc(cc2C(=CN(C1=O)C)c3cnn(c3)C)[C@H](CO )O |
(1~{R})-7-[(1~{R})-1,2-bis(oxidanyl)ethyl]-1,3-dimethyl-5-(1-methylpyrazol-4-yl)-1~{H}-3-benzazepin-2-one |
| 36730 |  P4Y ZINC000066167058 |
1 | C20 H15 N3 O4 | InChI=1S/C20H15N3O4/c24-1 8-17(20(26)27)22-15(23-19 (18)25)10-13-12-8-4-5-9-1 4(12)21-16(13)11-6-2-1-3- 7-11/h1-9,21,24H,10H2,(H, 26,27)(H,22,23,25); JONQCFJPPWOWOJ-UHFFFAOYSA-N |
c1ccc(cc1)c2c(c3ccccc3[nH]2)Cc4nc(c(c(n4 )O)O)C(=O)O; OC(=O)c1nc(Cc2c([nH]c3ccccc 23)c4ccccc4)nc(O)c1O; O=C(O)c1nc(nc(O)c1 O)Cc3c2ccccc2nc3c4ccccc4 |
5,6-dihydroxy-2-[(2-phenyl-1H-indol-3-yl)methyl]pyrimidine-4-carboxylic acid |
| 36731 |  P4Z |
2 | C25 H19 Cl F N5 O | InChI=1S/C25H19ClFN5O/c1- 2-20(25(29)33)31-24-17-10 -11-30-13-21(17)32-23(18( 24)12-28)15-8-6-14(7-9-15 )16-4-3-5-19(26)22(16)27/ h3-11,13,20H,2H2,1H3,(H2, 29,33)(H,31,32)/t20-/m1/s 1; LACMSNCHWBQXEK-HXUWFJFHSA-N |
CCC(C(=O)N)Nc1c2ccncc2nc(c1C#N)c3ccc(cc3 )c4cccc(c4F)Cl; CC[C@@H](Nc1c2ccncc2nc(c 3ccc(cc3)c4cccc(Cl)c4F)c1C#N)C(N)=O; CC[ CH](Nc1c2ccncc2nc(c3ccc(cc3)c4cccc(Cl)c4 F)c1C#N)C(N)=O; CC[C@H](C(=O)N)Nc1c2ccnc c2nc(c1C#N)c3ccc(cc3)c4cccc(c4F)Cl |
(2~{R})-2-[[2-[4-(3-chloranyl-2-fluoranyl-phenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide |
| 36732 |  P50 |
1 | C40 H76 N O9 P | InChI=1S/C40H76NO9P/c1-3- 5-7-9-11-13-15-17-18-20-2 2-24-26-28-30-32-40(44)50 -38(36-49-51(45,46)48-34- 37(41)33-42)35-47-39(43)3 1-29-27-25-23-21-19-16-14 -12-10-8-6-4-2/h17-18,33, 37-38H,3-16,19-32,34-36,4 1H2,1-2H3,(H,45,46)/b18-1 7-/t37-,38-/m0/s1; YXDSQFSRKMJOST-GSXCXXIQSA-N |
CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P](O)(=O )OC[C@@H](N)C=O)OC(=O)CCCCCCC\C=C/CCCCCC CC; CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC C(C=O)N)OC(=O)CCCCCCCC=CCCCCCCCC; O=C(CC CCCCC[C@H]=[C@H]CCCCCCCC)OC(COC(=O)CCCCC CCCCCCCCCC)COP(O)(=O)OCC(N)C=O; CCCCCCCC CCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@H](C =O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC; CCCCCCC CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N )C=O)OC(=O)CCCCCCCC=CCCCCCCCC |
(19S,22S,25R)-25-amino-22-hydroxy-16,22,26-trioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate |
| 36733 |  P51 ZINC000098209287 |
2 | C25 H31 I N2 O2 | InChI=1S/C25H31IN2O2/c1-3 -28(4-2)22-12-14-27(15-13 -22)19-21-17-20(18-24(26) 25(21)29)9-8-16-30-23-10- 6-5-7-11-23/h5-7,10-11,17 -18,22,29H,3-4,12-16,19H2 ,1-2H3; QHQZDNCRBPFORJ-UHFFFAOYSA-N |
CCN(CC)C1CCN(CC1)Cc2cc(cc(I)c2O)C#CCOc3c cccc3; CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C #CCOc3ccccc3; Ic2c(O)c(cc(C#CCOc1ccccc1) c2)CN3CCC(N(CC)CC)CC3 |
2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-(3-phenoxyprop-1-yn-1-yl)phenol |
| 36734 |  P52 CHEMBL3416733 ZINC000098209288 |
24 | C27 H37 N4 O4 P | InChI=1S/C27H37N4O4P/c1-1 8(2)14-21(17-36(34,35)25( 28)13-12-19-8-4-3-5-9-19) 27(33)31-24(26(29)32)15-2 0-16-30-23-11-7-6-10-22(2 0)23/h3-11,16,18,21,24-25 ,30H,12-15,17,28H2,1-2H3, (H2,29,32)(H,31,33)(H,34, 35)/t21-,24+,25-/m1/s1; QKFOTLXPIIESQI-IEZKXTBUSA-N |
CC(C)C[C@H](CP(=O)([C@H](CCc1ccccc1)N)O) C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N; O =P(O)(C(N)CCc1ccccc1)CC(C(=O)NC(C(=O)N)C c3c2ccccc2nc3)CC(C)C; CC(C)CC(CP(=O)(C(C Cc1ccccc1)N)O)C(=O)NC(Cc2c[nH]c3c2cccc3) C(=O)N; CC(C)C[C@H](C[P](O)(=O)[C@@H](N) CCc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c3ccccc2 3)C(N)=O; CC(C)C[CH](C[P](O)(=O)[CH](N)C Cc1ccccc1)C(=O)N[CH](Cc2c[nH]c3ccccc23)C (N)=O |
Nalpha-[(2S)-2-{[[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]methyl}-4-methylpentanoyl]-L-tryptophanamide |
| 36735 |  P53 ZINC000004097049 |
1 | C13 H19 O10 P | InChI=1S/C13H19O10P/c14-5 -7-3-1-2-4-8(7)22-13-12(1 7)11(16)10(15)9(23-13)6-2 1-24(18,19)20/h1-4,9-17H, 5-6H2,(H2,18,19,20)/t9-,1 0-,11+,12-,13-/m1/s1; FSJKOMDYZYBBLV-UJPOAAIJSA-N |
c1ccc(c(c1)CO)OC2C(C(C(C(O2)COP(=O)(O)O) O)O)O; c1ccc(c(c1)CO)O[C@H]2[C@@H]([C@H] ([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O; OCc1 ccccc1O[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[ CH](O)[CH]2O; OCc1ccccc1O[C@@H]2O[C@H](C O[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]2O; O =P(O)(O)OCC2OC(Oc1c(cccc1)CO)C(O)C(O)C2O |
2-(hydroxymethyl)phenyl 6-O-phosphono-beta-D-glucopyranoside; Salicin-6-phosphate; 2-(hydroxymethyl)phenyl 6-O-phosphono-beta-D-glucoside; 2-(hydroxymethyl)phenyl 6-O-phosphono-D-glucoside; 2-(hydroxymethyl)phenyl 6-O-phosphono-glucoside |
| 36736 |  P54 CHEMBL4166329 ZINC000103552638 |
3 | C18 H19 N5 S | InChI=1S/C18H19N5S/c1-4-5 -6-9-23-11-20-16(19)15-17 (23)22-18(21-15)24-14-8-7 -12(2)10-13(14)3/h1,7-8,1 0-11H,5-6,9,19H2,2-3H3; IIQUFGUOGYICIJ-UHFFFAOYSA-N |
Cc1ccc(c(c1)C)Sc2nc-3c(ncn(c3n2)CCCC#C)N ; Cc1ccc(Sc2nc3n(CCCC#C)cnc(N)c3n2)c(C)c 1; N1=C3C(N=C1Sc2ccc(cc2C)C)=C(N=CN3CCCC #C)N |
8-[(2,4-dimethylphenyl)sulfanyl]-3-pent-4-yn-1-yl-3H-purin-6-amine |
| 36737 |  P55 CHEMBL230137 DB08360 ZINC000016052399 |
1 | C18 H20 N8 | InChI=1S/C18H20N8/c1-2-24 -8-10-25(11-9-24)17-22-16 -14(12-19)13-20-26(16)18( 23-17)21-15-6-4-3-5-7-15/ h3-7,13H,2,8-11H2,1H3,(H, 21,22,23); BIFHJPUTQBOBGJ-UHFFFAOYSA-N |
CCN1CCN(CC1)c2nc(Nc3ccccc3)n4ncc(C#N)c4n 2; N#Cc1cnn2c(nc(nc12)N3CCN(CC)CC3)Nc4cc ccc4; CCN1CCN(CC1)c2nc3c(cnn3c(n2)Nc4ccc cc4)C#N |
2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE |
| 36738 |  P57 |
1 | C18 H15 N3 | InChI=1S/C18H15N3/c1-2-6- 14(7-3-1)18-16(12-21-11-1 0-19-13-21)15-8-4-5-9-17( 15)20-18/h1-11,13,20H,12H 2; RFRCCSUYEPHDFA-UHFFFAOYSA-N |
c1cccc3c1c(Cn2cncc2)c(n3)c4ccccc4; C(n1c cnc1)c2c([nH]c3ccccc23)c4ccccc4; c1ccc(c c1)c2c(c3ccccc3[nH]2)Cn4ccnc4 |
3-[(1H-imidazol-1-yl)methyl]-2-phenyl-1H-indole |
| 36739 |  P58 CHEMBL2010499 ZINC000001606737 |
1 | C9 H11 N S2 | InChI=1S/C9H11NS2/c1-10(9 (11)12)7-8-5-3-2-4-6-8/h2 -6H,7H2,1H3,(H,11,12); KVRJHAJGPHILSK-UHFFFAOYSA-N |
S=C(S)N(C)Cc1ccccc1; CN(Cc1ccccc1)C(=S)S ; CN(Cc1ccccc1)C(S)=S |
benzyl(methyl)carbamodithioic acid |
| 36740 |  P59 CHEMBL4092437 ZINC000000104459 |
3 | C20 H15 F N2 O | InChI=1S/C20H15FN2O/c21-1 7-12-6-4-10-15(17)19-22-1 8-13-7-5-11-16(18)20(24)2 3(19)14-8-2-1-3-9-14/h1-1 3,19,22H/t19-/m1/s1; UMMDFHVNOCVOCD-LJQANCHMSA-N |
c1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccccc4F; c 1ccc(cc1)N2[C@@H](Nc3ccccc3C2=O)c4ccccc4 F; Fc1ccccc1[CH]2Nc3ccccc3C(=O)N2c4ccccc 4; Fc1ccccc1[C@@H]2Nc3ccccc3C(=O)N2c4ccc cc4 |
(2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one |
| 36741 |  P5A CHEMBL1163086 DB02510 ZINC000013542769 |
7 | C15 H21 N7 O7 S | InChI=1S/C15H21N7O7S/c16- 12-9-13(19-5-18-12)22(6-2 0-9)15-11(24)10(23)8(29-1 5)4-28-30(26,27)21-14(25) 7-2-1-3-17-7/h5-8,10-11,1 5,17,23-24H,1-4H2,(H,21,2 5)(H2,16,18,19)/t7-,8+,10 +,11+,15+/m0/s1; LKVJEMXWEODCAY-JVEUSOJLSA-N |
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[S](=O)(=O) NC(=O)[CH]4CCCN4)[CH](O)[CH]3O; Nc1ncnc2 n(cnc12)[C@@H]3O[C@H](CO[S](=O)(=O)NC(=O )[C@@H]4CCCN4)[C@@H](O)[C@H]3O; O=C(NS(= O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C4 NCCC4; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C @@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@@H]4CC CN4)O)O)N; c1nc(c2c(n1)n(cn2)C3C(C(C(O3) COS(=O)(=O)NC(=O)C4CCCN4)O)O)N |
'5'-O-(N-(L-PROLYL)-SULFAMOYL)ADENOSINE |
| 36742 |  P5B DB04758 ZINC000003989238 |
1 | C26 H33 N7 O5 S | InChI=1S/C26H33N7O5S/c1-2 -39(37,38)33-22(13-18-15- 30-20-6-4-3-5-19(18)20)26 (36)32-21(11-12-23(27)34) 25(35)31-14-16-7-9-17(10- 8-16)24(28)29/h3-10,15,21 -22,30,33H,2,11-14H2,1H3, (H2,27,34)(H3,28,29)(H,31 ,35)(H,32,36)/t21-,22+/m0 /s1; FJGWLOKDOKYXMU-FCHUYYIVSA-N |
CC[S](=O)(=O)N[CH](Cc1c[nH]c2ccccc12)C(= O)N[CH](CCC(N)=O)C(=O)NCc3ccc(cc3)C(N)=N ; CC[S](=O)(=O)N[C@H](Cc1c[nH]c2ccccc12) C(=O)N[C@@H](CCC(N)=O)C(=O)NCc3ccc(cc3)C (N)=N; O=C(NCc1ccc(C(=[N@H])N)cc1)C(NC(= O)C(NS(=O)(=O)CC)Cc3c2ccccc2nc3)CCC(=O)N ; CCS(=O)(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)N C(CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N; CCS( =O)(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)N[C @@H](CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N |
N-(ETHYLSULFONYL)TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}GLUTAMAMIDE; 2-[2-ETHANESULFONYLAMINO-3-(1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIM IDOYL-BENZYLAMIDE) |
| 36743 |  P5C CHEMBL1235110 DB08361 ZINC000003941369 |
1 | C18 H24 N6 O | InChI=1S/C18H24N6O/c1-11- 5-4-6-12(9-11)22-17-13(16 (20)25)10-21-18(24-17)23- 15-8-3-2-7-14(15)19/h4-6, 9-10,14-15H,2-3,7-8,19H2, 1H3,(H2,20,25)(H2,21,22,2 3,24)/t14-,15+/m0/s1; NZNTWOVDIXCHHS-LSDHHAIUSA-N |
Cc1cccc(c1)Nc2c(cnc(n2)N[C@@H]3CCCC[C@@H ]3N)C(=O)N; Cc1cccc(c1)Nc2c(cnc(n2)NC3CC CCC3N)C(=O)N; Cc1cccc(Nc2nc(N[CH]3CCCC[C H]3N)ncc2C(N)=O)c1; Cc1cccc(Nc2nc(N[C@@H ]3CCCC[C@@H]3N)ncc2C(N)=O)c1; O=C(c1cnc( nc1Nc2cc(ccc2)C)NC3C(N)CCCC3)N |
2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide |
| 36744 |  P5D ZINC000066167059 |
1 | C13 H18 N O6 P | InChI=1S/C13H18NO6P/c14-1 1(6-9-4-2-1-3-5-9)21(19,2 0)8-10(13(17)18)7-12(15)1 6/h1-5,10-11H,6-8,14H2,(H ,15,16)(H,17,18)(H,19,20) /t10-,11+/m0/s1; HUMGCALEJILOSC-WDEREUQCSA-N |
N[CH](Cc1ccccc1)[P](O)(=O)C[CH](CC(O)=O) C(O)=O; O=C(O)C(CC(=O)O)CP(=O)(O)C(N)Cc1 ccccc1; c1ccc(cc1)CC(N)P(=O)(CC(CC(=O)O) C(=O)O)O; N[C@@H](Cc1ccccc1)[P](O)(=O)C[ C@H](CC(O)=O)C(O)=O; c1ccc(cc1)C[C@H](N) P(=O)(C[C@H](CC(=O)O)C(=O)O)O |
(2R)-2-{[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]methyl}butanedioic acid; L-PHE-D-ASP PHOSPHINATE PSEUDODIPEPTIDE |
| 36745 |  P5E |
2 | C9 H15 N2 O14 P3 S | InChI=1S/C9H15N2O14P3S/c1 2-5-1-2-11(9(15)10-5)8-7( 14)6(13)4(23-8)3-22-28(21 ,29)25-27(19,20)24-26(16, 17)18/h1-2,4,6-8,13-14H,3 H2,(H,19,20)(H,21,29)(H,1 0,12,15)(H2,16,17,18)/t4- ,6-,7-,8-,28+/m1/s1; BWPNYQWDXHLOGU-KWWYXVLOSA-N |
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(OP(= O)(O)OP(=O)(O)O)S)O)O; C1=CN(C(=O)NC1=O) [C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O) (OP(=O)(O)OP(=O)(O)O)S)O)O; O[C@H]1[C@@H ](O)[C@@H](O[C@@H]1CO[P@@](S)(=O)O[P](O) (=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O; O[CH]1 [CH](O)[CH](O[CH]1CO[P](S)(=O)O[P](O)(=O )O[P](O)(O)=O)N2C=CC(=O)NC2=O |
[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate |
| 36746 |  P5F |
10 | C32 H40 N10 O17 P2 | InChI=1S/C32H40N10O17P2/c 1-14-6-16-17(7-15(14)2)41 (29-23(30(50)39-32(51)38- 29)40(16)5-3-4-34-8-21(45 )46)9-18(43)24(47)19(44)1 0-56-60(52,53)59-61(54,55 )57-11-20-25(48)26(49)31( 58-20)42-13-37-22-27(33)3 5-12-36-28(22)42/h3-7,12- 13,18-20,24-26,31,43-44,4 7-49H,8-11H2,1-2H3,(H,45, 46)(H,52,53)(H,54,55)(H2, 33,35,36)(H2,38,39,50,51) /b5-3+,34-4?/t18-,19+,20+ ,24-,25+,26+,31+/m0/s1; IRSTVKNHNHEQIM-RDJFLKOLSA-N |
CC1=CC2=[N](C3=C(C(=O)NC(=O)N3)[N](=C2C= C1C)C=CC=NCC(=O)O)CC(C(C(COP(=O)(O)OP(=O )(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O) O; CC1=CC2=[N](C3=C(C(=O)NC(=O)N3)[N](=C 2C=C1C)C=CC=NCC(=O)O)C[C@@H]([C@@H]([C@@ H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@ H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O; C c1cc2c(cc1C)n(C=CC=NCC(O)=O)c3C(=O)NC(=O )Nc3n2C[CH](O)[CH](O)[CH](O)CO[P](O)(=O) O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5 cnc6c(N)ncnc56; Cc1cc2c(cc1C)n(\C=C\C=NC C(O)=O)c3C(=O)NC(=O)Nc3n2C[C@H](O)[C@H]( O)[C@H](O)CO[P](O)(=O)O[P](O)(=O)OC[C@H] 4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc5 6 |
N-propargylglycine-modified flavin adenine dinucleotide |
| 36747 |  P5G CHEMBL367448 ZINC000005999108 |
1 | C20 H24 O5 | InChI=1S/C20H24O5/c1-23-1 9-9-13(3-5-17(19)21)7-15- 11-25-12-16(15)8-14-4-6-1 8(22)20(10-14)24-2/h3-6,9 -10,15-16,21-22H,7-8,11-1 2H2,1-2H3/t15-,16-/m0/s1; ROGUIJKVZZROIQ-HOTGVXAUSA-N |
COc1cc(ccc1O)C[C@H]2COC[C@@H]2Cc3ccc(c(c 3)OC)O; c1(ccc(O)c(c1)OC)CC2COCC2Cc3cc(c (cc3)O)OC; COc1cc(C[CH]2COC[CH]2Cc3ccc(O )c(OC)c3)ccc1O; COc1cc(ccc1O)CC2COCC2Cc3 ccc(c(c3)OC)O; COc1cc(C[C@H]2COC[C@@H]2C c3ccc(O)c(OC)c3)ccc1O |
4,4'-[(3R,4R)-oxolane-3,4-diylbis(methylene)]bis(2-methoxyphenol) |
| 36748 |  P5H |
2 | C10 H15 N3 O4 S | InChI=1S/C10H15N3O4S/c1-7 -3-4-8(10(15)13-7)9(14)11 -5-6-12-18(2,16)17/h3-4,8 ,12H,5-6H2,1-2H3,(H,11,14 )/t8-/m0/s1; GMIZUAADSVWSGE-QMMMGPOBSA-N |
CC1=NC(=O)[CH](C=C1)C(=O)NCCN[S](C)(=O)= O; CC1=NC(=O)C(C=C1)C(=O)NCCNS(=O)(=O)C; CC1=NC(=O)[C@@H](C=C1)C(=O)NCCN[S](C)(= O)=O |
6-methyl-~{N}-[2-(methylsulfonylamino)ethyl]-2-oxidanylidene-3~{H}-pyridine-3-carboxamide |
| 36749 |  P5I |
1 | C17 H12 Cl N3 O5 | InChI=1S/C17H12ClN3O5/c18 -11-3-1-2-9(4-11)12-6-14( 26-21-12)10-5-13(22)16(19 -7-10)17(25)20-8-15(23)24 /h1-7,22H,8H2,(H,20,25)(H ,23,24); LXJZOEXMNSUCFH-UHFFFAOYSA-N |
OC(=O)CNC(=O)c1ncc(cc1O)c2onc(c2)c3cccc( Cl)c3; c1cc(cc(c1)Cl)c2cc(on2)c3cc(c(nc3 )C(=O)NCC(=O)O)O |
2-[[5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid; (5-(3-(3-chlorophenyl)isoxazol-5-yl)-3-hydroxypicolinoyl)glycine |
| 36750 |  P5J CHEMBL4452905 |
2 | C27 H22 N6 O | InChI=1S/C27H22N6O/c1-17- 28-14-20(15-29-17)23-10-1 1-33-25(31-23)21(16-30-33 )19-8-9-24-22(12-19)27(2, 26(34)32-24)13-18-6-4-3-5 -7-18/h3-12,14-16H,13H2,1 -2H3,(H,32,34)/t27-/m0/s1; KQGDDLRQLMABOG-MHZLTWQESA-N |
Cc1ncc(cn1)c2ccn3ncc(c4ccc5NC(=O)[C@@](C )(Cc6ccccc6)c5c4)c3n2; Cc1ncc(cn1)c2ccn3 c(n2)c(cn3)c4ccc5c(c4)C(C(=O)N5)(C)Cc6cc ccc6; Cc1ncc(cn1)c2ccn3ncc(c4ccc5NC(=O)[ C](C)(Cc6ccccc6)c5c4)c3n2; c1(nc2c(cnn2c c1)c3ccc4NC(C(C)(c4c3)Cc5ccccc5)=O)c6cnc (nc6)C; Cc1ncc(cn1)c2ccn3c(n2)c(cn3)c4cc c5c(c4)[C@](C(=O)N5)(C)Cc6ccccc6 |
(3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one |
| 36751 |  P5K CHEMBL1929195 ZINC000035974657 |
1 | C24 H27 N3 O4 S2 | InChI=1S/C24H27N3O4S2/c1- 24(2,3)20-15-18(22(28)27- 11-13-33(30,31)14-12-27)2 1(32-20)26-23(29)25-19-10 -6-8-16-7-4-5-9-17(16)19/ h4-10,15H,11-14H2,1-3H3,( H2,25,26,29); MGCVZCZJPOZRQX-UHFFFAOYSA-N |
CC(C)(C)c1sc(NC(=O)Nc2cccc3ccccc23)c(c1) C(=O)N4CC[S](=O)(=O)CC4; CC(C)(C)c1cc(c( s1)NC(=O)Nc2cccc3c2cccc3)C(=O)N4CCS(=O)( =O)CC4; O=C(Nc2sc(cc2C(=O)N1CCS(=O)(=O)C C1)C(C)(C)C)Nc4c3ccccc3ccc4 |
1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea |
| 36752 |  P5L |
2 | C37 H60 N4 O14 | InChI=1S/C37H60N4O14/c1-2 -3-4-5-6-7-8-9-10-11-12-1 3-14-15-25(44)53-31-21-19 -40(20-22(31)42)26(35(49) 50)32(55-36-30(48)27(45)2 3(52-36)18-38-21)33-28(46 )29(47)34(54-33)41-17-16- 24(43)39-37(41)51/h16-17, 21-23,26-34,36,38,42,45-4 8H,2-15,18-20H2,1H3,(H,49 ,50)(H,39,43,51)/t21-,22- ,23+,26-,27+,28-,29+,30+, 31+,32-,33-,34+,36-/m0/s1; COFIPAYOUOZUCF-CYMFUPBNSA-N |
CCCCCCCCCCCCCCCC(=O)OC1C2CN(CC1O)C(C(OC3 C(C(C(O3)CN2)O)O)C4C(C(C(O4)N5C=CC(=O)NC 5=O)O)O)C(=O)O; CCCCCCCCCCCCCCCC(=O)O[C@ H]1[C@@H](O)C[N@@]2C[C@@H]1NC[C@H]3O[C@@ H](O[C@H]([C@H]4O[C@H]([C@H](O)[C@@H]4O) N5C=CC(=O)NC5=O)[C@H]2C(O)=O)[C@H](O)[C@ @H]3O; CCCCCCCCCCCCCCCC(=O)O[CH]1[CH](O) C[N]2C[CH]1NC[CH]3O[CH](O[CH]([CH]4O[CH] ([CH](O)[CH]4O)N5C=CC(=O)NC5=O)[CH]2C(O) =O)[CH](O)[CH]3O; CCCCCCCCCCCCCCCC(=O)O[ C@@H]1[C@@H]2C[N@@](C[C@@H]1O)[C@@H]([C@ H](O[C@H]3[C@@H]([C@@H]([C@H](O3)CN2)O)O )[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O) NC5=O)O)O)C(=O)O; O=C1C=CN(C(=O)N1)C1OC( C2OC3OC(CNC4CN(CC(O)C4OC(=O)CCCCCCCCCCCC CCC)C2C(=O)O)C(O)C3O)C(O)C1O |
(1S,4R,5S,6R,7S,9S,10S,11S,13S,14R)-9-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]-14-(hexadecanoyloxy)-5,6,13-trihydroxy-8,16-dioxa-2,11-diazatricyclo[9.3.1.1~4,7~]hexadecane-10-carboxylic acid; sphaerimicin analogue |
| 36753 |  P5M CHEMBL1275624 ZINC000003954302 |
1 | C16 H13 O7 | InChI=1S/C16H12O7/c1-22-1 4-3-7(2-11(19)15(14)21)16 -12(20)6-9-10(18)4-8(17)5 -13(9)23-16/h2-6H,1H3,(H4 -,17,18,19,20,21)/p+1; AFOLOMGWVXKIQL-UHFFFAOYSA-O |
COc1cc(cc(c1O)O)c2c(cc3c(cc(cc3[o+]2)O)O )O; COc1cc(cc(O)c1O)c2[o+]c3cc(O)cc(O)c3 cc2O; Oc1cc(cc(OC)c1O)c3[o+]c2cc(O)cc(O) c2cc3O |
2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenium; Petunidin |
| 36754 |  P5N CHEMBL5082890 ZINC000000158890 |
2 | C10 H8 N2 O | InChI=1S/C10H8N2O/c13-7-9 -1-3-10(4-2-9)12-6-5-11-8 -12/h1-8H; DCICUQFMCRPKHZ-UHFFFAOYSA-N |
c1cc(ccc1C=O)n2ccnc2; O=Cc1ccc(cc1)n2ccn c2 |
1-(4-methylphenyl)imidazole |
| 36755 |  P5O CHEMBL110370 ZINC000013541228 |
3 | C15 H14 O4 | InChI=1S/C15H14O4/c1-19-1 5-8-10(4-5-14(15)18)2-3-1 1-6-12(16)9-13(17)7-11/h2 -9,16-18H,1H3/b3-2+; ANNNBEZJTNCXHY-NSCUHMNNSA-N |
COc1cc(ccc1O)/C=C/c2cc(cc(c2)O)O; COc1cc (ccc1O)C=Cc2cc(cc(c2)O)O; COc1cc(ccc1O)/ C=C/c2cc(O)cc(O)c2; COc1cc(ccc1O)C=Cc2cc (O)cc(O)c2 |
5-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]benzene-1,3-diol |
| 36756 |  P5P CHEMBL96862 DB03726 ZINC000015614364 |
1 | C10 H13 N4 O7 P | InChI=1S/C10H13N4O7P/c15- 7-6(2-20-22(17,18)19)21-1 0(8(7)16)14-4-13-5-1-11-3 -12-9(5)14/h1,3-4,6-8,10, 15-16H,2H2,(H2,17,18,19)/ t6-,7-,8-,10-/m1/s1; MCWDCZIDTUQRHK-FDDDBJFASA-N |
c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@ H](O3)COP(=O)(O)O)O)O; O[CH]1[CH](O)[CH] (O[CH]1CO[P](O)(O)=O)n2cnc3cncnc23; c1c2 c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O; O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O) (O)=O)n2cnc3cncnc23; O=P(O)(O)OCC3OC(n2c nc1cncnc12)C(O)C3O |
PURINE RIBOSIDE-5'-MONOPHOSPHATE |
| 36757 |  P5Q |
1 | C9 H9 N3 | InChI=1S/C9H9N3/c1-8-2-4- 9(5-3-8)12-7-10-6-11-12/h 2-7H,1H3; NXIAVERGTMRISY-UHFFFAOYSA-N |
Cc1ccc(cc1)n2cncn2 | 1-(4-methylphenyl)-1,2,4-triazole |
| 36758 |  P5R |
0 | C34 H70 O18 | InChI=1S/C34H70O18/c35-1- 3-37-5-7-39-9-11-41-13-15 -43-17-19-45-21-23-47-25- 27-49-29-31-51-33-34-52-3 2-30-50-28-26-48-24-22-46 -20-18-44-16-14-42-12-10- 40-8-6-38-4-2-36/h35-36H, 1-34H2; NIELXDCPHZJHGM-UHFFFAOYSA-N |
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO CCOCCOCCOCCO)O; OCCOCCOCCOCCOCCOCCOCCOCC OCCOCCOCCOCCOCCOCCOCCOCCOCCO |
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
| 36759 |  P5S CHEMBL4297669 DB00144 ZINC000085588270 |
236 | C42 H82 N O10 P | InChI=1S/C42H82NO10P/c1-3 -5-7-9-11-13-15-17-19-21- 23-25-27-29-31-33-40(44)5 0-35-38(36-51-54(48,49)52 -37-39(43)42(46)47)53-41( 45)34-32-30-28-26-24-22-2 0-18-16-14-12-10-8-6-4-2/ h38-39H,3-37,43H2,1-2H3,( H,46,47)(H,48,49)/t38-,39 +/m1/s1; TZCPCKNHXULUIY-RGULYWFUSA-N |
CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O )OC[CH](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC ; CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O) (=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCC CCCC; O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC( =O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC( C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC; CCCCCC CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@ H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC |
O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine; phosphatidyl serine |
| 36760 |  P5T |
1 | C5 H8 B9 N O2 S | InChI=1S/C5H8B9NO2S/c15-1 8(16,17)3-1-2-5-6-4-7-8(5 )12(5)11(5,6)9(4,6)10(4,7 )13(7,8,12)14(9,10,11)12/ h1-3H2,(H2,15,16,17); JYHLIKURGVWBQK-UHFFFAOYSA-N |
N[S](=O)(=O)CCC[C+]123[B]45[B-]67[C]89[B ]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[ B]3%10%11[B]%12%13%14%15; N[S](=O)(=O)CC C[C+]123[B]45[B-]67[C@@]89[B]1%10[B]8%11 %12[B]69%13[B]47%14[B]25%15[B]3%10%11[B] %12%13%14%15; B123B45B167B289B612B744B11 6B282[C@@]93B21C465CCCS(=O)(=O)N; B123B4 5B167B289B612B744B116B282C93B21C465CCCS( =O)(=O)N |
Meta-Nidocarborane propyl-sulfonamide |
| 36761 |  P5U |
0 | C10 H10 N2 O5 S | InChI=1S/C10H10N2O5S/c11- 5-7-1-3-8(4-2-7)18(15,16) 17-6-9(12)10(13)14/h1-4,9 H,6,12H2,(H,13,14)/t9-/m0 /s1; BGAKRHOBIFFXJD-VIFPVBQESA-N |
N[C@@H](CO[S](=O)(=O)c1ccc(cc1)C#N)C(O)= O; c1cc(ccc1C#N)S(=O)(=O)OCC(C(=O)O)N; N C(C(=O)O)COS(c1ccc(cc1)C#N)(=O)=O; N[CH] (CO[S](=O)(=O)c1ccc(cc1)C#N)C(O)=O; c1cc (ccc1C#N)S(=O)(=O)OC[C@@H](C(=O)O)N |
O-[(4-cyanophenyl)sulfonyl]-L-serine |
| 36762 |  P5V CHEMBL4524356 |
1 | C23 H20 N4 O2 | InChI=1S/C23H20N4O2/c28-2 1(14-2-3-14)27-11-1-8-23( 27)17-12-15(4-6-18(17)26- 22(23)29)16-5-7-19-20(13- 16)25-10-9-24-19/h4-7,9-1 0,12-14H,1-3,8,11H2,(H,26 ,29)/t23-/m0/s1; PXPGVPPGCPSCSN-QHCPKHFHSA-N |
O=C1Nc2ccc(cc2[C@@]13CCCN3C(=O)C4CC4)c5c cc6nccnc6c5; c1cc2c(cc1c3ccc4c(c3)C5(CCC N5C(=O)C6CC6)C(=O)N4)nccn2; C2(=O)Nc1ccc (cc1C24CCCN4C(=O)C3CC3)c5cc6c(cc5)nccn6; c1cc2c(cc1c3ccc4c(c3)[C@@]5(CCCN5C(=O)C 6CC6)C(=O)N4)nccn2; O=C1Nc2ccc(cc2[C]13C CCN3C(=O)C4CC4)c5ccc6nccnc6c5 |
(3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one |
| 36763 |  P5W CHEMBL1621959 ZINC000000446531 |
1 | C16 H12 N2 O2 S | InChI=1S/C16H12N2O2S/c19- 15(20)12-6-8-13(9-7-12)17 -16-18-14(10-21-16)11-4-2 -1-3-5-11/h1-10H,(H,17,18 )(H,19,20); UGLHSEDBIJMFOC-UHFFFAOYSA-N |
OC(=O)c1ccc(Nc2scc(n2)c3ccccc3)cc1; c1cc c(cc1)c2csc(n2)Nc3ccc(cc3)C(=O)O |
4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid |
| 36764 |  P5X |
4 | C24 H22 Cl N3 O S | InChI=1S/C24H22ClN3OS/c1- 27(2)20-7-9-21(10-8-20)28 (15-22-12-19(25)16-30-22) 24(29)11-18-14-26-13-17-5 -3-4-6-23(17)18/h3-10,12- 14,16H,11,15H2,1-2H3; VADPVOZBGIXSAG-UHFFFAOYSA-N |
CN(C)c1ccc(cc1)N(Cc2cc(cs2)Cl)C(=O)Cc3cn cc4c3cccc4; CN(C)c1ccc(cc1)N(Cc2scc(Cl)c 2)C(=O)Cc3cncc4ccccc34; Clc1cc(CN(C(=O)C c2cncc3ccccc32)c2ccc(cc2)N(C)C)sc1 |
N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)acetamide |
| 36765 |  P5Y CHEMBL4800426 |
2 | C25 H21 F3 N6 O3 | InChI=1S/C25H21F3N6O3/c26 -25(27,28)21-9-5-4-8-20(2 1)24(36)33(14-18-10-12-19 (13-11-18)23(35)30-37)16- 22-29-31-32-34(22)15-17-6 -2-1-3-7-17/h1-13,37H,14- 16H2,(H,30,35); MEWDNULKAXEKII-UHFFFAOYSA-N |
c1ccc(cc1)Cn2c(nnn2)CN(Cc3ccc(cc3)C(=O)N O)C(=O)c4ccccc4C(F)(F)F; ONC(=O)c1ccc(CN (Cc2nnnn2Cc3ccccc3)C(=O)c4ccccc4C(F)(F)F )cc1; c1(nnnn1Cc2ccccc2)CN(C(=O)c3c(cccc 3)C(F)(F)F)Cc4ccc(C(=O)NO)cc4 |
N-[(1-benzyl-1H-tetrazol-5-yl)methyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)benzamide |
| 36766 |  P5Z |
1 | C17 H11 Cl2 N O3 | InChI=1S/C17H11Cl2NO3/c1- 9-15(17(21)22)16(23-14-5- 3-2-4-12(14)19)11-8-10(18 )6-7-13(11)20-9/h2-8H,1H3 ,(H,21,22); ABPWAZGWFVYLDD-UHFFFAOYSA-N |
Cc1nc2ccc(Cl)cc2c(Oc3ccccc3Cl)c1C(O)=O; Clc1ccccc1Oc1c2cc(Cl)ccc2nc(C)c1C(=O)O; Cc1c(c(c2cc(ccc2n1)Cl)Oc3ccccc3Cl)C(=O)O |
6-chloro-4-(2-chlorophenoxy)-2-methylquinoline-3-carboxylic acid |
| 36767 |  P60 ZINC000016159701 |
1 | C10 H6 F N O3 | InChI=1S/C10H6FNO3/c11-7- 4-2-1-3-6(7)9-8(10(13)14) 12-5-15-9/h1-5H,(H,13,14); COYYCXFHTJQGGF-UHFFFAOYSA-N |
c1ccc(c(c1)c2c(nco2)C(=O)O)F; OC(=O)c1nc oc1c2ccccc2F; c1cc(c(cc1)F)c2c(C(O)=O)nc o2 |
5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid |
| 36768 |  P61 ZINC000098209289 |
8 | C17 H18 F N2 O8 P | InChI=1S/C17H18FN2O8P/c1- 9-16(22)12(11(6-19-9)8-28 -29(25,26)27)7-20-14(17(2 3)24)5-10-2-3-15(21)13(18 )4-10/h2-4,6-7,19,21-22H, 5,8H2,1H3,(H,23,24)(H2,25 ,26,27)/b12-7-,20-14+; AWZHPOMIAYWMIB-ALAGMBGBSA-N |
CC1=C(/C(=C\N=C(/Cc2ccc(c(c2)F)O)\C(=O)O )/C(=CN1)COP(=O)(O)O)O; Fc1c(O)ccc(c1)CC (=N/C=C2\C(O)=C(NC=C2COP(=O)(O)O)C)\C(=O )O; CC1=C(C(=CN=C(Cc2ccc(c(c2)F)O)C(=O)O )C(=CN1)COP(=O)(O)O)O; CC1=C(O)\C(=C/N=C (Cc2ccc(O)c(F)c2)C(O)=O)C(=CN1)CO[P](O)( O)=O; CC1=C(O)C(=CN=C(Cc2ccc(O)c(F)c2)C( O)=O)C(=CN1)CO[P](O)(O)=O |
(2E)-3-(3-fluoro-4-hydroxyphenyl)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}propanoic acid |
| 36769 |  P62 |
1 | C16 H21 Cl N4 O S | InChI=1S/C16H21ClN4OS/c1- 21(2)8-7-18-10-14-13(15(2 2)20-16(23)19-14)9-11-3-5 -12(17)6-4-11/h3-6,18H,7- 10H2,1-2H3,(H2,19,20,22,2 3); BODROOXVZKSZLI-UHFFFAOYSA-N |
CN(C)CCNCC1=C(Cc2ccc(Cl)cc2)C(=NC(=S)N1) O; CN(C)CCNCC1=C(C(=NC(=S)N1)O)Cc2ccc(cc 2)Cl |
5-[(4-chlorophenyl)methyl]-6-[[2-(dimethylamino)ethylamino]methyl]-4-oxidanyl-1~{H}-pyrimidine-2-thione |
| 36770 |  P63 CHEMBL230354 DB08362 ZINC000016052402 |
1 | C20 H16 N8 O | InChI=1S/C20H16N8O/c1-13( 29)23-16-8-5-9-17(10-16)2 4-19-26-18-14(11-21)12-22 -28(18)20(27-19)25-15-6-3 -2-4-7-15/h2-10,12H,1H3,( H,23,29)(H2,24,25,26,27); QVKXQLGRDOMAGC-UHFFFAOYSA-N |
CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)n4ncc(C#N) c4n2)c1; O=C(Nc1cc(ccc1)Nc3nc2c(C#N)cnn2 c(n3)Nc4ccccc4)C; CC(=O)Nc1cccc(c1)Nc2nc 3c(cnn3c(n2)Nc4ccccc4)C#N |
N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE |
| 36771 |  P64 CHEMBL4100356 |
6 | C20 H24 N4 | InChI=1S/C20H24N4/c1-24(2 )18-8-4-15(5-9-18)11-12-2 2-14-16-3-6-17-7-10-20(21 )23-19(17)13-16/h3-10,13, 22H,11-12,14H2,1-2H3,(H2, 21,23); SYHMYZCWRIEYOI-UHFFFAOYSA-N |
CN(C)c1ccc(cc1)CCNCc2ccc3ccc(nc3c2)N; CN (c1ccc(cc1)CCNCc2cc3c(cc2)ccc(N)n3)C; CN (C)c1ccc(CCNCc2ccc3ccc(N)nc3c2)cc1 |
7-[({2-[4-(dimethylamino)phenyl]ethyl}amino)methyl]quinolin-2-amine |
| 36772 |  P65 CHEMBL3819601 ZINC000095921379 |
3 | C14 H15 Cl3 N4 O2 | InChI=1S/C14H15Cl3N4O2/c1 -7-12(13(18)21-14(19)20-7 )23-4-2-3-22-11-6-9(16)8( 15)5-10(11)17/h5-6H,2-4H2 ,1H3,(H4,18,19,20,21); KNUBCZHIBGZRJT-UHFFFAOYSA-N |
Cc1c(c(nc(n1)N)N)OCCCOc2cc(c(cc2Cl)Cl)Cl ; Cc1nc(N)nc(N)c1OCCCOc2cc(Cl)c(Cl)cc2Cl |
2,4-diamino-6-methyl-5-[3-(2,4,5-trichlorophenoxy)propyloxy]pyrimidine |
| 36773 |  P66 CHEMBL1082158 |
1 | C21 H15 Cl F2 N6 O | InChI=1S/C21H15ClF2N6O/c2 2-14-7-4-11(21(31)27-12-5 -6-12)8-17(14)28-20-13-9- 26-30(18(13)10-25-29-20)1 9-15(23)2-1-3-16(19)24/h1 -4,7-10,12H,5-6H2,(H,27,3 1)(H,28,29); ZWVCUFJZBBAOFI-UHFFFAOYSA-N |
Fc1cccc(F)c1n2ncc3c(Nc4cc(ccc4Cl)C(=O)NC 5CC5)nncc23; O=C(NC1CC1)c2cc(c(Cl)cc2)Nc 3nncc4c3cnn4c5c(F)cccc5F; c1cc(c(c(c1)F) n2c3cnnc(c3cn2)Nc4cc(ccc4Cl)C(=O)NC5CC5) F |
4-chloro-N-cyclopropyl-3-{[1-(2,6-difluorophenyl)-1H-pyrazolo[3,4-d]pyridazin-4-yl]amino}benzamide |
| 36774 |  P68 CHEMBL3329562 ZINC000095920528 |
15 | C18 H20 Br N3 O2 | InChI=1S/C18H20BrN3O2/c1- 12(22-24)13-5-4-6-14(11-1 3)18(2,3)21-17(23)20-16-9 -7-15(19)8-10-16/h4-11,24 H,1-3H3,(H2,20,21,23)/b22 -12+; DSTKQECXQMKQLN-WSDLNYQXSA-N |
Brc2ccc(NC(=O)NC(c1cccc(\C(=N\O)C)c1)(C) C)cc2; C/C(=N\O)/c1cccc(c1)C(C)(C)NC(=O) Nc2ccc(cc2)Br; CC(=N\O)/c1cccc(c1)C(C)(C )NC(=O)Nc2ccc(Br)cc2; CC(=NO)c1cccc(c1)C (C)(C)NC(=O)Nc2ccc(cc2)Br; CC(=NO)c1cccc (c1)C(C)(C)NC(=O)Nc2ccc(Br)cc2 |
1-(4-bromophenyl)-3-(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)urea |
| 36775 |  P69 CHEMBL4063020 ZINC000000104456 |
1 | C20 H15 F N2 O | InChI=1S/C20H15FN2O/c21-1 7-12-6-4-10-15(17)19-22-1 8-13-7-5-11-16(18)20(24)2 3(19)14-8-2-1-3-9-14/h1-1 3,19,22H/t19-/m0/s1; UMMDFHVNOCVOCD-IBGZPJMESA-N |
c1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccccc4F; F c1ccccc1[C@H]2Nc3ccccc3C(=O)N2c4ccccc4; c1ccc(cc1)N2[C@H](Nc3ccccc3C2=O)c4ccccc4 F; Fc1ccccc1[CH]2Nc3ccccc3C(=O)N2c4ccccc 4 |
(2S)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one |
| 36776 |  P6A CHEMBL363228 ZINC000013583263 |
2 | C14 H10 Cl N O2 | InChI=1S/C14H10ClNO2/c1-9 -13(10-5-3-2-4-6-10)14(16 -18-9)11-7-8-12(15)17-11/ h2-8H,1H3; IPAVFMUBTIUYBW-UHFFFAOYSA-N |
Cc1c(c(no1)c2ccc(o2)Cl)c3ccccc3; Cc1onc( c2oc(Cl)cc2)c1c3ccccc3; Cc2c(c(c1oc(cc1) Cl)no2)c3ccccc3 |
3-(5-chlorofuran-2-yl)-5-methyl-4-phenyl-1,2-oxazole |
| 36777 |  P6B ZINC000061708856 |
1 | C13 H15 N3 O2 | InChI=1S/C13H15N3O2/c17-1 1-6-7-16(8-11)9-12-14-13( 15-18-12)10-4-2-1-3-5-10/ h1-5,11,17H,6-9H2/t11-/m0 /s1; FQHRNVUXCKTULP-NSHDSACASA-N |
c1ccc(cc1)c2nc(on2)CN3CCC(C3)O; O[CH]1CC N(C1)Cc2onc(n2)c3ccccc3; O[C@H]1CCN(C1)C c2onc(n2)c3ccccc3; C3CN(Cc1onc(n1)c2cccc c2)CC3O; c1ccc(cc1)c2nc(on2)CN3CC[C@@H]( C3)O |
(3S)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol |
| 36778 |  P6C ZINC000005963371 |
2 | C10 H11 N5 O2 | InChI=1S/C10H11N5O2/c1-4( 2)6-7-8(15-10(11)14-6)12- 3-5(13-7)9(16)17/h3-4H,1- 2H3,(H,16,17)(H2,11,12,14 ,15); GPHPGFBRJYCUDO-UHFFFAOYSA-N |
O=C(O)c1nc2c(nc1)nc(nc2C(C)C)N; CC(C)c1n c(N)nc2ncc(nc12)C(O)=O; CC(C)c1c2c(ncc(n 2)C(=O)O)nc(n1)N |
2-AMINO-4-ISOPROPYL-PTERIDINE-6-CARBOXYLIC ACID |
| 36779 |  P6D |
3 | C9 H13 N6 O4 | InChI=1S/C9H13N6O4/c10-5- 1-2-15(9(18)12-5)8-6(13-1 4-11)7(17)4(3-16)19-8/h1- 2,4,6-8,11,16-17H,3H2,(H2 ,10,12,18)/t4-,6-,7-,8-/m 1/s1; SXKUZFQHWHCRFO-XVFCMESISA-N |
C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)N=[N+]= [NH-]; NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[C H](O)[CH]2N=[N+]=[NH-]; C1=CN(C(=O)N=C1N )[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N=[N+ ]=[NH-]; NC1=NC(=O)N(C=C1)[C@@H]2O[C@H]( CO)[C@@H](O)[C@H]2N=[N+]=[NH-] |
2'-azidocytidine |
| 36780 |  P6E CHEMBL4521594 |
6 | C20 H17 Cl N2 O4 S | InChI=1S/C20H17ClN2O4S/c2 1-15-7-4-8-17(12-15)27-18 -10-9-16(13-19(18)28(22,2 5)26)23-20(24)11-14-5-2-1 -3-6-14/h1-10,12-13H,11H2 ,(H,23,24)(H2,22,25,26); CSJYMAFXYMYNCK-UHFFFAOYSA-N |
N[S](=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Oc3 cccc(Cl)c3; c1ccc(cc1)CC(=O)Nc2ccc(c(c2) S(=O)(=O)N)Oc3cccc(c3)Cl |
N-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-ethanamide |
| 36781 |  P6F CHEMBL1235112 DB13863 ZINC000004523259 |
13 | C6 H14 O12 P2 | InChI=1S/C6H14O12P2/c7-3( 1-17-19(11,12)13)5(9)6(10 )4(8)2-18-20(14,15)16/h3, 5-7,9-10H,1-2H2,(H2,11,12 ,13)(H2,14,15,16)/t3-,5-, 6-/m1/s1; XPYBSIWDXQFNMH-UYFOZJQFSA-N |
C(C(C(C(C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O) O; C([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O )O)O)O)OP(=O)(O)O; O=P(O)(O)OCC(=O)C(O)C (O)C(O)COP(=O)(O)O; O[CH](CO[P](O)(O)=O) [CH](O)[CH](O)C(=O)CO[P](O)(O)=O; O[C@H] (CO[P](O)(O)=O)[C@@H](O)[C@H](O)C(=O)CO[ P](O)(O)=O |
1,6-di-O-phosphono-D-fructose |
| 36782 |  P6G CHEMBL1235082 ZINC000004521548 |
1 | C12 H26 O7 | InChI=1S/C12H26O7/c13-1-3 -15-5-7-17-9-11-19-12-10- 18-8-6-16-4-2-14/h13-14H, 1-12H2; IIRDTKBZINWQAW-UHFFFAOYSA-N |
O(CCO)CCOCCOCCOCCOCCO; OCCOCCOCCOCCOCCOC CO; C(COCCOCCOCCOCCOCCO)O |
HEXAETHYLENE GLYCOL; POLYETHYLENE GLYCOL PEG400 |
| 36783 |  P6H ZINC000090728171 |
1 | C8 H10 O3 S | InChI=1S/C8H10O3S/c1-12(1 0,11)8-5-3-2-4-7(8)6-9/h2 -5,9H,6H2,1H3; RKXFAGRISWUJGO-UHFFFAOYSA-N |
CS(=O)(=O)c1ccccc1CO; C[S](=O)(=O)c1cccc c1CO |
(2-methylsulfonylphenyl)methanol |
| 36784 |  P6I |
4 | C23 H19 Cl N2 O S2 | InChI=1S/C23H19ClN2OS2/c1 -28-20-8-6-19(7-9-20)26(1 4-21-11-18(24)15-29-21)23 (27)10-17-13-25-12-16-4-2 -3-5-22(16)17/h2-9,11-13, 15H,10,14H2,1H3; CEQRNFLEHMXIOS-UHFFFAOYSA-N |
CSc1ccc(cc1)N(Cc2scc(Cl)c2)C(=O)Cc3cncc4 ccccc34; CSc1ccc(cc1)N(Cc2cc(cs2)Cl)C(=O )Cc3cncc4c3cccc4; Clc1cc(CN(C(=O)Cc2cncc 3ccccc32)c2ccc(SC)cc2)sc1 |
N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-[4-(methylsulfanyl)phenyl]acetamide |
| 36785 |  P6J CHEMBL4560579 |
1 | C22 H21 F2 N5 O3 S | InChI=1S/C22H21F2N5O3S/c1 -4-5-32-17-10-26-15(9-27- 17)19(30)28-12-6-13(18(24 )14(23)7-12)21(2)16-8-22( 16,11-31-3)33-20(25)29-21 /h1,6-7,9-10,16H,5,8,11H2 ,2-3H3,(H2,25,29)(H,28,30 )/t16-,21+,22+/m0/s1; IPUJINDWAGRAHN-KNXBSLHKSA-N |
COC[C]12C[CH]1[C](C)(N=C(N)S2)c3cc(NC(=O )c4cnc(OCC#C)cn4)cc(F)c3F; CC1(C2CC2(SC( =N1)N)COC)c3cc(cc(c3F)F)NC(=O)c4cnc(cn4) OCC#C; COCC12C(C1)C(N=C(S2)N)(C)c3c(F)c( F)cc(c3)NC(=O)c4cnc(cn4)OCC#C; C[C@]1([C @@H]2C[C@@]2(SC(=N1)N)COC)c3cc(cc(c3F)F) NC(=O)c4cnc(cn4)OCC#C; COC[C@]12C[C@H]1[ C@](C)(N=C(N)S2)c3cc(NC(=O)c4cnc(OCC#C)c n4)cc(F)c3F |
N-{3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide |
| 36786 |  P6L ZINC000098209291 |
21 | C40 H75 O10 P | InChI=1S/C40H75O10P/c1-3- 5-7-9-11-13-15-17-18-20-2 1-23-25-27-29-31-39(43)47 -35-38(36-49-51(45,46)48- 34-37(42)33-41)50-40(44)3 2-30-28-26-24-22-19-16-14 -12-10-8-6-4-2/h18,20,22, 24,37-38,41-42H,3-17,19,2 1,23,25-36H2,1-2H3,(H,45, 46)/b20-18+,24-22-/t37-,3 8+/m1/s1; WLVNRDXLPAAELE-GDRYEXQRSA-N |
CCCCCCCCCC=CCCCCCCC(=O)OCC(COP(=O)(O)OCC (CO)O)OC(=O)CCCCC=CCCCCCCCCC; CCCCCCCCC/ C=C/CCCCCCC(=O)OC[C@@H](CO[P@@](O)(=O)OC [C@H](O)CO)OC(=O)CCCC\C=C/CCCCCCCCC; O=C (OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCC/C=C /CCCCCCCCC)CCCC\C=C/CCCCCCCCC; CCCCCCCCC C=CCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OC[C @@H](CO)O)OC(=O)CCCCC=CCCCCCCCCC; CCCCCC CCCC=CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[C H](O)CO)OC(=O)CCCCC=CCCCCCCCCC |
(2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE |
| 36787 |  P6M CHEMBL4088234 ZINC000584905686 |
4 | C17 H20 F5 N3 S | InChI=1S/C17H20F5N3S/c1-9 -7-15(2,25-14(23)26-9)11- 5-10(12(18)6-13(11)19)8-2 4-16(3-4-16)17(20,21)22/h 5-6,9,24H,3-4,7-8H2,1-2H3 ,(H2,23,25)/t9-,15+/m1/s1; ZQULGQNNJUBPOZ-PSLIRLAXSA-N |
Fc2cc(F)c(CNC1(C(F)(F)F)CC1)cc2C3(C)N=C( SC(C3)C)N; CC1CC(N=C(S1)N)(C)c2cc(c(cc2F )F)CNC3(CC3)C(F)(F)F; C[C@@H]1C[C@](C)(N =C(N)S1)c2cc(CNC3(CC3)C(F)(F)F)c(F)cc2F; C[C@@H]1C[C@@](N=C(S1)N)(C)c2cc(c(cc2F) F)CNC3(CC3)C(F)(F)F; C[CH]1C[C](C)(N=C(N )S1)c2cc(CNC3(CC3)C(F)(F)F)c(F)cc2F |
(4S,6R)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine |
| 36788 |  P6N ZINC000003861252 |
1 | C11 H12 O | InChI=1S/C11H12O/c1-8-6-7 -9-4-2-3-5-10(9)11(8)12/h 2-5,8H,6-7H2,1H3/t8-/m0/s 1; GANIBVZSZGNMNB-QMMMGPOBSA-N |
C[CH]1CCc2ccccc2C1=O; CC1CCc2ccccc2C1=O; C[C@H]1CCc2ccccc2C1=O |
(2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one |
| 36789 |  P6O |
1 | C19 H14 Cl N3 O3 | InChI=1S/C19H14ClN3O3/c20 -12-5-6-15-14(7-12)19(26, 8-17(24)22-15)18(25)23-16 -10-21-9-11-3-1-2-4-13(11 )16/h1-7,9-10,26H,8H2,(H, 22,24)(H,23,25)/t19-/m0/s 1; WTGNNXIIBVYQGH-IBGZPJMESA-N |
O[C]1(CC(=O)Nc2ccc(Cl)cc12)C(=O)Nc3cncc4 ccccc34; O[C@]1(CC(=O)Nc2ccc(Cl)cc12)C(= O)Nc3cncc4ccccc34; Clc1ccc2NC(=O)CC(O)(c 2c1)C(=O)Nc1cncc2ccccc21; c1ccc2c(c1)cnc c2NC(=O)[C@@]3(CC(=O)Nc4c3cc(cc4)Cl)O; c 1ccc2c(c1)cncc2NC(=O)C3(CC(=O)Nc4c3cc(cc 4)Cl)O |
(4S)-6-chloro-4-hydroxy-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide |
| 36790 |  P6P ZINC000003869919 |
4 | C6 H13 O9 P | InChI=1S/C6H13O9P/c7-2-6( 10)5(9)4(8)3(15-6)1-14-16 (11,12)13/h3-5,7-10H,1-2H 2,(H2,11,12,13)/t3-,4-,5+ ,6+/m1/s1; BGWGXPAPYGQALX-ZXXMMSQZSA-N |
C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)O)O)O )OP(=O)(O)O; O=P(O)(O)OCC1OC(O)(CO)C(O)C 1O; C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O; O C[C@]1(O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[ C@@H]1O; OC[C]1(O)O[CH](CO[P](O)(O)=O)[C H](O)[CH]1O |
6-O-phosphono-alpha-D-fructofuranose; alpha fructose-6-phosphate; 6-O-phosphono-alpha-D-fructose; 6-O-phosphono-D-fructose; 6-O-phosphono-fructose |
| 36791 |  P6Q |
1 | C5 H8 B10 N O2 S | InChI=1S/C5H8B10NO2S/c16- 19(17,18)3-1-2-4-8-11(4)5 -6-10(4,5)14(6)13-7(5)12( 5,11)9(13)15(4,8,13)14/h1 -3H2,(H2,16,17,18); QLNJPQJBMGLBKN-UHFFFAOYSA-N |
N[S](=O)(=O)CCC[C]123B4[B-]15[B+]67B8[B+ ]9%10B6[C+]57%11B%12[B-]9([B-]2%11%12)[B ]348%10; B12B34B156B37B8B79C813B4B12B31C 95(B61)CCCS(=O)(=O)N |
Meta-Carborane propyl-sulfonamide |
| 36792 |  P6R |
4 | C26 H25 Cl N2 O S | InChI=1S/C26H25ClN2OS/c1- 26(2,3)20-8-10-22(11-9-20 )29(16-23-13-21(27)17-31- 23)25(30)12-19-15-28-14-1 8-6-4-5-7-24(18)19/h4-11, 13-15,17H,12,16H2,1-3H3; VAAIHZIVXKAKRN-UHFFFAOYSA-N |
Clc1cc(CN(C(=O)Cc2cncc3ccccc32)c2ccc(cc2 )C(C)(C)C)sc1; CC(C)(C)c1ccc(cc1)N(Cc2cc (cs2)Cl)C(=O)Cc3cncc4c3cccc4; CC(C)(C)c1 ccc(cc1)N(Cc2scc(Cl)c2)C(=O)Cc3cncc4cccc c34 |
N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)acetamide |
| 36793 |  P6S ZINC000005933548 |
1 | C8 H8 O3 | InChI=1S/C8H8O3/c9-8(10)1 1-6-7-4-2-1-3-5-7/h1-5H,6 H2,(H,9,10); NJAPCAIWQRPQPY-UHFFFAOYSA-N |
c1ccc(cc1)COC(=O)O; C(OC(=O)O)c1ccccc1; OC(=O)OCc1ccccc1 |
benzyl hydrogen carbonate |
| 36794 |  P6T CHEMBL1235115 DB02512 ZINC000004523255 |
5 | C6 H14 O12 P2 | InChI=1S/C6H14O12P2/c7-3( 1-17-19(11,12)13)5(9)6(10 )4(8)2-18-20(14,15)16/h3, 5-7,9-10H,1-2H2,(H2,11,12 ,13)(H2,14,15,16)/t3-,5+, 6-/m1/s1; XPYBSIWDXQFNMH-PQLUHFTBSA-N |
O[C@H](CO[P](O)(O)=O)[C@H](O)[C@H](O)C(= O)CO[P](O)(O)=O; C(C(C(C(C(=O)COP(=O)(O) O)O)O)O)OP(=O)(O)O; O=P(O)(O)OCC(=O)C(O) C(O)C(O)COP(=O)(O)O; C([C@H]([C@@H]([C@@ H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O; O[ CH](CO[P](O)(O)=O)[CH](O)[CH](O)C(=O)CO[ P](O)(O)=O |
1,6-di-O-phosphono-D-tagatose |
| 36795 |  P6U CHEMBL4098403 ZINC000584905685 |
5 | C16 H18 F5 N3 S | InChI=1S/C16H18F5N3S/c1-1 4(4-5-25-13(22)24-14)10-6 -9(11(17)7-12(10)18)8-23- 15(2-3-15)16(19,20)21/h6- 7,23H,2-5,8H2,1H3,(H2,22, 24)/t14-/m0/s1; XKONRMXLBXCJAM-AWEZNQCLSA-N |
C[C@]1(CCSC(=N1)N)c2cc(CNC3(CC3)C(F)(F)F )c(F)cc2F; CC1(CCSC(=N1)N)c2cc(c(cc2F)F) CNC3(CC3)C(F)(F)F; C[C]1(CCSC(=N1)N)c2cc (CNC3(CC3)C(F)(F)F)c(F)cc2F; C[C@]1(CCSC (=N1)N)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F |
(4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine |
| 36796 |  P6V CHEMBL4591933 ZINC000069635494 |
0 | C8 H10 N2 O2 | InChI=1S/C8H10N2O2/c9-5-6 -1-3-7(4-2-6)8(11)10-12/h 1-4,12H,5,9H2,(H,10,11); BEFFEYYOJBJYKA-UHFFFAOYSA-N |
NCc1ccc(cc1)C(=O)NO; C(NO)(c1ccc(CN)cc1) =O; c1cc(ccc1CN)C(=O)NO |
4-(aminomethyl)-N-hydroxybenzamide |
| 36797 |  P6W ZINC000001615340 |
4 | C5 H10 N2 O2 | InChI=1S/C5H10N2O2/c6-4(8 )2-1-3-5(7)9/h1-3H2,(H2,6 ,8)(H2,7,9); RCCYSVYHULFYHE-UHFFFAOYSA-N |
NC(=O)CCCC(N)=O; C(CC(=O)N)CC(=O)N | pentanediamide; Glutaramide |
| 36798 |  P6X ZINC000001281245 |
1 | C10 H7 Cl2 N3 O S | InChI=1S/C10H7Cl2N3OS/c11 -7-2-1-6(3-8(7)12)5-17-10 -14-9(16)4-13-15-10/h1-4H ,5H2,(H,14,15,16); CFRWHJMZZQCDAT-UHFFFAOYSA-N |
Oc1nc(SCc2ccc(Cl)c(Cl)c2)nnc1; Oc1cnnc(S Cc2ccc(Cl)c(Cl)c2)n1; c1cc(c(cc1CSc2nc(c nn2)O)Cl)Cl |
3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1,2,4-triazin-5-ol |
| 36799 |  P6Y CHEMBL4475378 |
2 | C15 H12 F3 N3 O3 | InChI=1S/C15H12F3N3O3/c16 -15(17,18)12-11(2-1-7-19- 12)14(23)20-8-9-3-5-10(6- 4-9)13(22)21-24/h1-7,24H, 8H2,(H,20,23)(H,21,22); SQBRKYYJEYSFMY-UHFFFAOYSA-N |
ONC(=O)c1ccc(CNC(=O)c2cccnc2C(F)(F)F)cc1 ; c2(C(NCc1ccc(cc1)C(NO)=O)=O)cccnc2C(F) (F)F; c1cc(c(nc1)C(F)(F)F)C(=O)NCc2ccc(c c2)C(=O)NO |
N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)pyridine-3-carboxamide |
| 36800 |  P6Z ZINC000020357529 |
1 | C10 H8 N2 O | InChI=1S/C10H8N2O/c13-7-9 -2-1-3-10(6-9)12-5-4-11-8 -12/h1-8H; CGTQCZGDVDTRDI-UHFFFAOYSA-N |
c1cc(cc(c1)n2ccnc2)C=O; O=Cc1cccc(c1)n2c cnc2 |
3-imidazol-1-ylbenzaldehyde |