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| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 22401 | GSZ ZINC000103543715 |
2 | C20 H28 N3 O4 | InChI=1S/C20H27N3O4/c1-12 (2)20(27)22-16-18(26)17(2 5)15(11-24)23-10-14(21-19 (16)23)9-8-13-6-4-3-5-7-1 3/h3-7,10,12,15-18,24-26H ,8-9,11H2,1-2H3,(H,22,27) /p+1/t15-,16-,17-,18-/m1/ s1; YCPLHXLUOSXDJD-BRSBDYLESA-O |
CC(C)C(=O)NC1c2[nH]c(c[n+]2C(C(C1O)O)CO) CCc3ccccc3; CC(C)C(=O)N[CH]1[CH](O)[CH]( O)[CH](CO)[n+]2cc(CCc3ccccc3)[nH]c12; O= C(NC3c1[n+](cc(n1)CCc2ccccc2)C(C(O)C3O)C O)C(C)C; CC(C)C(=O)N[C@@H]1[C@@H](O)[C@H ](O)[C@@H](CO)[n+]2cc(CCc3ccccc3)[nH]c12 ; CC(C)C(=O)N[C@H]1c2[nH]c(c[n+]2[C@@H]( [C@H]([C@@H]1O)O)CO)CCc3ccccc3 |
N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-2-METHYLPROPANAMIDE |
| 22402 | GT0 CHEMBL1076875 ZINC000011535715 |
4 | C9 H13 N O3 | InChI=1S/C9H13NO3/c1-6-9( 12)8(5-13-2)7(4-11)3-10-6 /h3,11-12H,4-5H2,1-2H3; SVINQHQHARVZFF-UHFFFAOYSA-N |
Cc1c(c(c(cn1)CO)COC)O; COCc1c(O)c(C)ncc1 CO; Oc1c(c(cnc1C)CO)COC |
5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol; ginkgotoxin |
| 22403 | GT1 CHEMBL1086597 ZINC000049113213 |
2 | C9 H14 N O6 P | InChI=1S/C9H14NO6P/c1-6-9 (11)8(5-15-2)7(3-10-6)4-1 6-17(12,13)14/h3,11H,4-5H 2,1-2H3,(H2,12,13,14); RFYDYCIMPLKICN-UHFFFAOYSA-N |
COCc1c(O)c(C)ncc1CO[P](O)(O)=O; Cc1c(c(c (cn1)COP(=O)(O)O)COC)O; O=P(O)(O)OCc1cnc (c(O)c1COC)C |
[5-hydroxy-4-(methoxymethyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate; ginkgotoxin, phosphorylated |
| 22404 | GT2 CHEMBL3797232 ZINC000653848799 |
4 | C14 H9 Cl3 N2 O3 | InChI=1S/C14H9Cl3N2O3/c15 -8-2-3-9(11(17)6-8)14(21) 18-12-5-7(13(20)19-22)1-4 -10(12)16/h1-6,22H,(H,18, 21)(H,19,20); UYUPOQDZJBPUTQ-UHFFFAOYSA-N |
c1cc(c(cc1C(=O)NO)NC(=O)c2ccc(cc2Cl)Cl)C l; ONC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2C l)c1 |
4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{N}-oxidanyl-benzamide |
| 22405 | GT3 | 0 | C11 H16 N6 O4 | InChI=1S/C11H16N6O4/c1-5( 19)6(3-18)14-7(20)2-17-4- 13-8-9(17)15-11(12)16-10( 8)21/h4-6,18-19H,2-3H2,1H 3,(H,14,20)(H3,12,15,16,2 1)/t5-,6-/m1/s1; ASZZNRVPFUUWEN-PHDIDXHHSA-N |
CC(C(CO)NC(=O)Cn1cnc2c1N=C(NC2=O)N)O; C[ C@H]([C@@H](CO)NC(=O)Cn1cnc2c1N=C(NC2=O) N)O; C[CH](O)[CH](CO)NC(=O)Cn1cnc2C(=O)N C(=Nc12)N; C[C@@H](O)[C@@H](CO)NC(=O)Cn1 cnc2C(=O)NC(=Nc12)N |
2-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-N-[(2R,3R)-1,3-bis(oxidanyl)butan-2-yl]ethanamide |
| 22406 | GT4 ZINC000000363785 |
7 | C9 H11 N O3 | InChI=1S/C9H11NO3/c1-13-6 -9(12)10-7-2-4-8(11)5-3-7 /h2-5,11H,6H2,1H3,(H,10,1 2); NSZUGQROUUTGGI-UHFFFAOYSA-N |
COCC(=O)Nc1ccc(cc1)O; COCC(=O)Nc1ccc(O)c c1 |
~{N}-(4-hydroxyphenyl)-2-methoxy-ethanamide |
| 22407 | GT5 | 23 | C27 H41 N5 O6 S2 | InChI=1S/C27H41N5O6S2/c1- 17(2)12-22(31-27(35)24-15 -29-18(3)39-24)25(33)32-2 3(16-38-4)26(34)30-21(10- 11-40(5,36)37)13-19-6-8-2 0(14-28)9-7-19/h6-9,15,17 ,21-23H,10-14,16,28H2,1-5 H3,(H,30,34)(H,31,35)(H,3 2,33)/t21-,22+,23+/m1/s1; FURWAZMEXWNXHC-VJBWXMMDSA-N |
COC[CH](NC(=O)[CH](CC(C)C)NC(=O)c1sc(C)n c1)C(=O)N[CH](CC[S](C)(=O)=O)Cc2ccc(CN)c c2; Cc1ncc(s1)C(=O)N[C@@H](CC(C)C)C(=O)N [C@@H](COC)C(=O)N[C@H](CCS(=O)(=O)C)Cc2c cc(cc2)CN; Cc1ncc(s1)C(=O)NC(CC(C)C)C(=O )NC(COC)C(=O)NC(CCS(=O)(=O)C)Cc2ccc(cc2) CN; COC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1 sc(C)nc1)C(=O)N[C@H](CC[S](C)(=O)=O)Cc2c cc(CN)cc2 |
~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide |
| 22408 | GT6 CHEMBL3039522 DB11782 ZINC000096941868 |
2 | C42 H56 F2 N8 O6 | InChI=1S/C42H56F2N8O6/c1- 7-33(49-39(55)21(3)45-5)4 1(57)51-19-27(53)15-25(51 )17-31-29-11-9-23(43)13-3 5(29)47-37(31)38-32(30-12 -10-24(44)14-36(30)48-38) 18-26-16-28(54)20-52(26)4 2(58)34(8-2)50-40(56)22(4 )46-6/h9-14,21-22,25-28,3 3-34,45-48,53-54H,7-8,15- 20H2,1-6H3,(H,49,55)(H,50 ,56)/t21-,22-,25-,26-,27- ,28-,33-,34-/m0/s1; PKWRMUKBEYJEIX-DXXQBUJASA-N |
O=C(N6C(Cc5c1ccc(F)cc1nc5c3c(c2ccc(F)cc2 n3)CC4N(C(=O)C(NC(=O)C(NC)C)CC)CC(O)C4)C C(O)C6)C(NC(=O)C(NC)C)CC; CC[C@H](NC(=O) [C@H](C)NC)C(=O)N1C[C@@H](O)C[C@H]1Cc2c( [nH]c3cc(F)ccc23)c4[nH]c5cc(F)ccc5c4C[C@ @H]6C[C@H](O)CN6C(=O)[C@H](CC)NC(=O)[C@H ](C)NC; CC[CH](NC(=O)[CH](C)NC)C(=O)N1C[ CH](O)C[CH]1Cc2c([nH]c3cc(F)ccc23)c4[nH] c5cc(F)ccc5c4C[CH]6C[CH](O)CN6C(=O)[CH]( CC)NC(=O)[CH](C)NC; CCC(C(=O)N1CC(CC1Cc2 c3ccc(cc3[nH]c2c4c(c5ccc(cc5[nH]4)F)CC6C C(CN6C(=O)C(CC)NC(=O)C(C)NC)O)F)O)NC(=O) C(C)NC; CC[C@@H](C(=O)N1C[C@H](C[C@H]1Cc 2c3ccc(cc3[nH]c2c4c(c5ccc(cc5[nH]4)F)C[C @@H]6C[C@@H](CN6C(=O)[C@H](CC)NC(=O)[C@H ](C)NC)O)F)O)NC(=O)[C@H](C)NC |
(2S,2'S)-N,N'-[(6,6'-difluoro-1H,1'H-2,2'-biindole-3,3'-diyl)bis{methanediyl[(2R,4S)-4-hydroxypyrrolidine-2,1-diyl][(2S)-1-oxobutane-1,2-diyl]}]bis[2-(methylamino)propanamide] |
| 22409 | GT7 ZINC000000091989 |
2 | C9 H14 N2 O | InChI=1S/C9H14N2O/c10-7-6 -9(12)11-8-4-2-1-3-5-8/h8 H,1-6H2,(H,11,12); RURWLUVLDBYUEN-UHFFFAOYSA-N |
C1CCC(CC1)NC(=O)CC#N; O=C(CC#N)NC1CCCCC1 | 2-cyano-~{N}-cyclohexyl-ethanamide |
| 22410 | GT8 | 13 | C32 H52 N4 O7 | InChI=1S/C32H52N4O7/c1-22 (33-28(37)21-36-16-18-43- 19-17-36)30(39)35-27(20-2 4-10-13-25(42-4)14-11-24) 31(40)34-26(29(38)32(2,3) 41)15-12-23-8-6-5-7-9-23/ h10-11,13-14,22-23,26-27, 29,38,41H,5-9,12,15-21H2, 1-4H3,(H,33,37)(H,34,40)( H,35,39)/t22-,26-,27-,29+ /m0/s1; NHSACZPZCKLMNP-WDDJKNHOSA-N |
CC(C(=O)NC(Cc1ccc(cc1)OC)C(=O)NC(CCC2CCC CC2)C(C(C)(C)O)O)NC(=O)CN3CCOCC3; C[C@@H ](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H ](CCC2CCCCC2)[C@H](C(C)(C)O)O)NC(=O)CN3C COCC3; COc1ccc(C[CH](NC(=O)[CH](C)NC(=O) CN2CCOCC2)C(=O)N[CH](CCC3CCCCC3)[CH](O)C (C)(C)O)cc1; COc1ccc(C[C@H](NC(=O)[C@H]( C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CCC3CCCCC 3)[C@@H](O)C(C)(C)O)cc1 |
(2~{S})-~{N}-[(3~{S},4~{R})-1-cyclohexyl-5-methyl-4,5-bis(oxidanyl)hexan-3-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide |
| 22411 | GT9 DB07849 |
0 | C12 H25 N O2 S | InChI=1S/C12H25NO2S/c1-2- 3-4-5-6-7-8-9-16-10-11(13 )12(14)15/h11H,2-10,13H2, 1H3,(H,14,15)/t11-/m0/s1; NYQGIUKEPYHDNY-NSHDSACASA-N |
CCCCCCCCCSCC(C(=O)O)N; O=C(O)C(N)CSCCCCC CCCC; CCCCCCCCCSC[C@@H](C(=O)O)N; CCCCCC CCCSC[CH](N)C(O)=O; CCCCCCCCCSC[C@H](N)C (O)=O |
S-NONYL-CYSTEINE |
| 22412 | GTA DB01649 ZINC000096006025 |
56 | C21 H30 N10 O17 P3 | InChI=1S/C21H29N10O17P3/c 1-29-6-31(17-10(29)18(36) 28-21(23)27-17)20-14(35)1 2(33)8(46-20)3-44-50(39,4 0)48-51(41,42)47-49(37,38 )43-2-7-11(32)13(34)19(45 -7)30-5-26-9-15(22)24-4-2 5-16(9)30/h4-8,11-14,19-2 0,32-35H,2-3H2,1H3,(H7-,2 2,23,24,25,27,28,36,37,38 ,39,40,41,42)/p+1/t7-,8-, 11-,12-,13-,14-,19-,20-/m 1/s1; QQOHNVHGNZYSBP-XPWFQUROSA-O |
C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)CO P(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n 5cnc6c5ncnc6N)O)O)O)O; C[n+]1cn(c2c1C(=O )NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)C O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O C[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5nc nc6N)O)O)O)O; C[n+]1cn([C@@H]2O[C@H](CO[ P@](O)(=O)O[P@](O)(=O)O[P@](O)(=O)OC[C@H ]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc 45)[C@@H](O)[C@H]2O)c6N=C(N)NC(=O)c16; C [n+]1cn([CH]2O[CH](CO[P](O)(=O)O[P](O)(= O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O) n4cnc5c(N)ncnc45)[CH](O)[CH]2O)c6N=C(N)N C(=O)c16; O=C1NC(=Nc2c1[n+](cn2C3OC(C(O) C3O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC6OC(n 5cnc4c(ncnc45)N)C(O)C6O)C)N |
P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE; 7-METHYL-GPPPA |
| 22413 | GTB DB03686 ZINC000003874914 |
35 | C17 H22 N4 O8 S | InChI=1S/C17H22N4O8S/c18- 12(17(26)27)5-6-14(22)20- 13(16(25)19-7-15(23)24)9- 30-8-10-1-3-11(4-2-10)21( 28)29/h1-4,12-13H,5-9,18H 2,(H,19,25)(H,20,22)(H,23 ,24)(H,26,27)/t12-,13-/m0 /s1; OAWORKDPTSAMBZ-STQMWFEESA-N |
c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)C C[C@@H](C(=O)O)N)[N+](=O)[O-]; O=[N+]([O -])c1ccc(cc1)CSCC(C(=O)NCC(=O)O)NC(=O)CC C(C(=O)O)N; c1cc(ccc1CSCC(C(=O)NCC(=O)O) NC(=O)CCC(C(=O)O)N)[N+](=O)[O-]; N[CH](C CC(=O)N[CH](CSCc1ccc(cc1)[N+]([O-])=O)C( =O)NCC(O)=O)C(O)=O; N[C@@H](CCC(=O)N[C@@ H](CSCc1ccc(cc1)[N+]([O-])=O)C(=O)NCC(O) =O)C(O)=O |
S-(P-NITROBENZYL)GLUTATHIONE |
| 22414 | GTC DB07850 ZINC000005816947 |
5 | C9 H13 N3 O2 S | InChI=1S/C9H13N3O2S/c13-8 (14)6-4-2-1-3-5(6)7-10-9( 15)12-11-7/h5-6H,1-4H2,(H ,13,14)(H2,10,11,12,15)/t 5-,6+/m0/s1; DYLXWYPNDHPRPQ-NTSWFWBYSA-N |
S=C1NC(=NN1)C2CCCCC2C(=O)O; OC(=O)[CH]1C CCC[CH]1C2=NNC(=S)N2; C1CCC(C(C1)C2=NNC( =S)N2)C(=O)O; OC(=O)[C@@H]1CCCC[C@@H]1C2 =NNC(=S)N2; C1CC[C@H]([C@H](C1)C2=NNC(=S )N2)C(=O)O |
(1R,2S)-2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid |
| 22415 | GTD | 13 | C16 H20 N6 O12 S | InChI=1S/C16H20N6O12S/c17 -8(16(27)28)1-2-12(23)19- 9(15(26)18-5-13(24)25)6-3 5-14-10(21(31)32)3-7(20(2 9)30)4-11(14)22(33)34/h3- 4,7-9,14H,1-2,5-6,17H2,(H ,18,26)(H,19,23)(H,24,25) (H,27,28)/t7-,8-,9-,14+/m 0/s1; VQUXYLXGOSJDJJ-OSGJSWLFSA-N |
O=[N+]([O-])C1=CC([N+]([O-])=O)C=C([N+]( [O-])=O)C1SCC(C(=O)NCC(=O)O)NC(=O)CCC(C( =O)O)N; N[C@@H](CCC(=O)N[C@@H](CS[C@@H]1 C(=C[C@@H](C=C1[N+]([O-])=O)[N+]([O-])=O )[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O; C1=C (C(C(=CC1[N+](=O)[O-])[N+](=O)[O-])SCC(C (=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)[N+](=O) [O-]; N[CH](CCC(=O)N[CH](CS[CH]1C(=C[CH] (C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-] )=O)C(=O)NCC(O)=O)C(O)=O; C1=C(C(C(=CC1[ N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)N CC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O) [O-] |
1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE; (S)-2-AMINO-5-((R)-1-(CARBOXYMETHYLAMINO)-1-OXO-3-(2,4,6-TRINITROCYCLOHEXA-2,5-DIENYLTHIO)PROPAN-2-YLAMINO)-5-OXOPENTANOIC ACID |
| 22416 | GTE | 0 | H O | InChI=1/H2O/h1H2; XLYOFNOQVPJJNP-UHFFFAOYAF |
O; [OH] | GLUCOSE 4-O4 GROUP |
| 22417 | GTF CHEMBL1201383 ZINC000013546270 |
26 | C9 H14 F2 N3 O13 P3 | InChI=1S/C9H14F2N3O13P3/c 10-9(11)6(15)4(25-7(9)14- 2-1-5(12)13-8(14)16)3-24- 29(20,21)27-30(22,23)26-2 8(17,18)19/h1-2,4,6-7,15H ,3H2,(H,20,21)(H,22,23)(H 2,12,13,16)(H2,17,18,19)/ t4-,6-,7-/m1/s1; YMOXEIOKAJSRQX-QPPQHZFASA-N |
NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)( =O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)C2(F )F; FC2(F)C(N1C(=O)N=C(N)C=C1)OC(C2O)COP (OP(O)(=O)OP(O)(O)=O)(O)=O; C1=CN(C(=O)N =C1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)O P(=O)(O)OP(=O)(O)O)O)(F)F; C1=CN(C(=O)N= C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O) (O)O)O)(F)F; NC1=NC(=O)N(C=C1)[CH]2O[CH] (CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH ](O)C2(F)F |
2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate); Gemcitabine-TRIPHOSPHATE |
| 22418 | GTG DB03958 ZINC000085547903 |
29 | C21 H30 N10 O18 P3 | InChI=1S/C21H29N10O18P3/c 1-29-5-31(15-9(29)17(37)2 8-21(23)26-15)19-13(35)11 (33)7(47-19)3-45-51(40,41 )49-52(42,43)48-50(38,39) 44-2-6-10(32)12(34)18(46- 6)30-4-24-8-14(30)25-20(2 2)27-16(8)36/h4-7,10-13,1 8-19,32-35H,2-3H2,1H3,(H8 -,22,23,25,26,27,28,36,37 ,38,39,40,41,42,43)/p+1/t 6-,7-,10-,11-,12-,13-,18- ,19-/m1/s1; FHHZHGZBHYYWTG-INFSMZHSSA-O |
C[n+]1cn([C@@H]2O[C@H](CO[P](O)(=O)O[P]( O)(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O) [C@@H]3O)n4cnc5C(=O)NC(=Nc45)N)[C@@H](O) [C@H]2O)c6N=C(N)NC(=O)c16; C[n+]1cn([CH] 2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O )OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5C(=O)N C(=Nc45)N)[CH](O)[CH]2O)c6N=C(N)NC(=O)c1 6; C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@ H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)( O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H ](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O; O=C1NC (=Nc2c1[n+](cn2C3OC(C(O)C3O)COP(=O)(O)OP (=O)(O)OP(=O)(O)OCC6OC(n5cnc4c5N=C(N)NC4 =O)C(O)C6O)C)N; C[n+]1cn(c2c1C(=O)NC(=N2 )N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)( O)OCC4C(C(C(O4)n5cnc6c5N=C(NC6=O)N)O)O)O )O |
7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE; MRNA CAP ANALOG N7-METHYL GPPPG |
| 22419 | GTH | 0 | C18 H32 N2 O13 | InChI=1S/C18H32N2O13/c1-5 (9(19)16(28)29)30-17-10(2 0-6(2)23)15(12(25)8(4-22) 31-17)33-18-14(27)13(26)1 1(24)7(3-21)32-18/h5,7-15 ,17-18,21-22,24-27H,3-4,1 9H2,1-2H3,(H,20,23)(H,28, 29)/t5-,7-,8-,9+,10-,11+, 12+,13+,14-,15-,17-,18+/m 1/s1; VWNOCGQJSBAAFO-KPCFJFNASA-N |
O=C(O)C(N)C(OC2OC(C(O)C(OC1OC(C(O)C(O)C1 O)CO)C2NC(=O)C)CO)C; CC(C(C(=O)O)N)OC1C( C(C(C(O1)CO)O)OC2C(C(C(C(O2)CO)O)O)O)NC( =O)C; C[C@H]([C@@H](C(=O)O)N)O[C@H]1[C@@ H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@ H]([C@H]([C@H]([C@H](O2)CO)O)O)O)NC(=O)C ; C[CH](O[CH]1O[CH](CO)[CH](O)[CH](O[CH] 2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH]1NC(C )=O)[CH](N)C(O)=O; C[C@@H](O[C@@H]1O[C@H ](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@ H](O)[C@H](O)[C@H]2O)[C@H]1NC(C)=O)[C@H] (N)C(O)=O |
3-O-GLUCOPYRANOSYL-THREONINE-[2-DEOXY-2-ACETAMIDO-GLUCOPYRANOSIDE]; GLYCOSYLATED THREONINE |
| 22420 | GTI CHEMBL3596389 ZINC000000117404 |
4 | C12 H14 N4 S | InChI=1S/C12H14N4S/c1-2-4 -10(5-3-1)11-14-12(17-15- 11)16-8-6-13-7-9-16/h1-5, 13H,6-9H2; UMFMHSLRNJBGKO-UHFFFAOYSA-N |
c1ccc(cc1)c2nc(sn2)N3CCNCC3; C1CN(CCN1)c 2snc(n2)c3ccccc3; n1c(snc1c2ccccc2)N3CCN CC3 |
1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine |
| 22421 | GTJ ZINC000000274846 |
2 | C13 H17 N3 O | InChI=1S/C13H17N3O/c1-3-9 -16-11-8-6-5-7-10(11)14-1 3(16)15-12(17)4-2/h5-8H,3 -4,9H2,1-2H3,(H,14,15,17); KFQGOQCGYCFOQG-UHFFFAOYSA-N |
CCCn1c2ccccc2nc1NC(=O)CC; CCCn1c(NC(=O)C C)nc2ccccc12 |
~{N}-(1-propylbenzimidazol-2-yl)propanamide |
| 22422 | GTK | 1 | C6 H10 O7 | InChI=1S/C6H10O7/c7-1-2(8 )6(12)13-4(1)3(9)5(10)11/ h1-4,6-9,12H,(H,10,11)/t1 -,2-,3+,4-,6-/m1/s1; OEVWLAOZEALENB-ORELYVPDSA-N |
O=C(O)C(O)C1OC(O)C(O)C1O; [C@H]1([C@H]([ C@@H](O[C@H]1[C@@H](C(=O)O)O)O)O)O; O[CH ]1O[CH]([CH](O)[CH]1O)[CH](O)C(O)=O; O[C @@H]1O[C@H]([C@H](O)[C@H]1O)[C@H](O)C(O) =O; C1(C(C(OC1C(C(=O)O)O)O)O)O |
beta-D-galactofuranuronic acid; beta-D-galacturonic acid; D-galacturonic acid; galacturonic acid |
| 22423 | GTL DB02525 |
4 | C6 H12 N2 O5 | InChI=1S/C6H12N2O5/c9-1-2 -3(10)4(11)5(12)6(7-2)8-1 3/h2-5,9-13H,1H2,(H,7,8)/ t2-,3+,4+,5-/m1/s1; VBXHGXTYZGYTQG-MGCNEYSASA-N |
OC[C@H]1NC(=N\O)/[C@H](O)[C@@H](O)[C@H]1 O; C([C@@H]1[C@@H]([C@@H]([C@H](C(=NO)N1 )O)O)O)O; C(C1C(C(C(C(=NO)N1)O)O)O)O; OC [CH]1NC(=NO)[CH](O)[CH](O)[CH]1O; OC1C(O )C(O)C(=N\O)\NC1CO |
(2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2-PIPERIDINONE; D-GALACTOHYDROXIMO-1,5-LACTAM |
| 22424 | GTM DB01648 ZINC000005888013 |
4 | C7 H14 O5 S | InChI=1S/C7H14O5S/c1-11-7 -5(10)4(9)6(13)3(2-8)12-7 /h3-10,13H,2H2,1H3/t3-,4- ,5-,6-,7-/m1/s1; PFROTWRHYMLGHR-NYMZXIIRSA-N |
COC1C(C(C(C(O1)CO)S)O)O; CO[C@H]1[C@@H]( [C@H]([C@@H]([C@H](O1)CO)S)O)O; CO[CH]1O [CH](CO)[CH](S)[CH](O)[CH]1O; CO[C@@H]1O [C@H](CO)[C@@H](S)[C@H](O)[C@H]1O; OC1C( O)C(S)C(OC1OC)CO |
methyl 4-thio-beta-D-glucopyranoside; O1-METHYL-4-DEOXY-4-THIO-BETA-D-GLUCOSE; methyl 4-thio-beta-D-glucoside; methyl 4-thio-D-glucoside; methyl 4-thio-glucoside |
| 22425 | GTN | 0 | C10 H17 N6 O13 P3 | InChI=1/C10H17N6O13P3/c11 -10-13-7-4(8(19)14-10)12- 2-16(7)9-6(18)5(17)3(28-9 )1-27-32(25,26)29-31(23,2 4)15-30(20,21)22/h2-3,5-6 ,9,17-18H,1H2,(H,25,26)(H 3,11,13,14,19)(H4,15,20,2 1,22,23,24)/t3-,5-,6-,9-/ m1/s1/f/h14-15,20-21,23,2 5H,11H2; UQABYHGXWYXDTK-SADWDOFADT |
O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1 c2N=C(N)NC1=O)C(O)C3O; c1nc2c(n1[C@H]3[C @@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@] (=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N; c1nc2 c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O )O)O)O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O) N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O) (=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O; NC1=N c2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O [P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O |
PHOSPHOAMINOPHOSPHONIC ACID GUANYLATE ESTER |
| 22426 | GTO | 0 | C11 H18 N5 O13 P3 | InChI=1/C11H18N5O13P3/c12 -11-14-8-5(9(19)15-11)13- 2-16(8)10-7(18)6(17)4(28- 10)1-27-32(25,26)29-31(23 ,24)3-30(20,21)22/h2,4,6- 7,10,17-18H,1,3H2,(H,23,2 4)(H,25,26)(H2,20,21,22)( H3,12,14,15,19)/t4-,6-,7- ,10-/m1/s1/f/h15,20-21,23 ,25H,12H2; PHBDHXOBFUBCJD-KWPOQKRIDJ |
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO [P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N =C(NC2=O)N; c1nc2c(n1C3C(C(C(O3)COP(=O)( O)OP(=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N; N C1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)( =O)O[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O ; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[ P@@](O)(=O)O[P@@](O)(=O)C[P](O)(O)=O)[C@ @H](O)[C@H]3O; O=P(O)(O)CP(=O)(O)OP(=O)( O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O |
PHOSPHOMETHYLPHOSPHONIC ACID-GUANYLATE ESTER |
| 22427 | GTP CHEMBL1233147 DB04137 ZINC000060094177 |
7685 | C10 H16 N5 O14 P3 | InChI=1S/C10H16N5O14P3/c1 1-10-13-7-4(8(18)14-10)12 -2-15(7)9-6(17)5(16)3(27- 9)1-26-31(22,23)29-32(24, 25)28-30(19,20)21/h2-3,5- 6,9,16-17H,1H2,(H,22,23)( H,24,25)(H2,19,20,21)(H3, 11,13,14,18)/t3-,5-,6-,9- /m1/s1; XKMLYUALXHKNFT-UUOKFMHZSA-N |
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO [P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N= C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O [C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)= O)[C@@H](O)[C@H]3O; NC1=Nc2n(cnc2C(=O)N1 )[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P]( O)(O)=O)[CH](O)[CH]3O; c1nc2c(n1C3C(C(C( O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C (NC2=O)N; O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC 3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O |
GUANOSINE-5'-TRIPHOSPHATE |
| 22428 | GTQ CHEMBL1461 ZINC000000001507 |
13 | C7 H6 O4 | InChI=1S/C7H6O4/c8-4-1-2- 6(9)5(3-4)7(10)11/h1-3,8- 9H,(H,10,11); WXTMDXOMEHJXQO-UHFFFAOYSA-N |
O=C(O)c1cc(O)ccc1O; c1cc(c(cc1O)C(=O)O)O ; OC(=O)c1cc(O)ccc1O |
2,5-dihydroxybenzoic acid |
| 22429 | GTR DB03652 ZINC000004097542 |
37 | C6 H10 O7 | InChI=1S/C6H10O7/c7-1-2(8 )4(5(10)11)13-6(12)3(1)9/ h1-4,6-9,12H,(H,10,11)/t1 -,2+,3+,4-,6+/m0/s1; AEMOLEFTQBMNLQ-DTEWXJGMSA-N |
[C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O)C( =O)O)O)O; C1(C(C(C(C(C(=O)O)O1)O)O)O)O; O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O) C(O)=O; C1(C(C(OC(C1O)O)C(=O)O)O)O; O[CH ]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O |
beta-D-galactopyranuronic acid; beta-D-galacturonic acid; D-galacturonic acid; galacturonic acid |
| 22430 | GTS DB03003 ZINC000001616624 |
44 | C10 H17 N3 O9 S | InChI=1S/C10H17N3O9S/c11- 5(10(18)19)1-2-7(14)13-6( 4-23(20,21)22)9(17)12-3-8 (15)16/h5-6H,1-4,11H2,(H, 12,17)(H,13,14)(H,15,16)( H,18,19)(H,20,21,22)/t5-, 6-/m0/s1; QGWRMTHFAZVWAM-WDSKDSINSA-N |
C(CC(=O)NC(CS(=O)(=O)O)C(=O)NCC(=O)O)C(C (=O)O)N; N[CH](CCC(=O)N[CH](C[S](O)(=O)= O)C(=O)NCC(O)=O)C(O)=O; C(CC(=O)N[C@@H]( CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O) N; N[C@@H](CCC(=O)N[C@@H](C[S](O)(=O)=O) C(=O)NCC(O)=O)C(O)=O; O=C(NC(C(=O)NCC(=O )O)CS(=O)(=O)O)CCC(C(=O)O)N |
GLUTATHIONE SULFONIC ACID |
| 22431 | GTT | 0 | C10 H18 N3 O6 S | InChI=1S/C10H17N3O6S/c11- 5(10(18)19)1-2-7(14)13-6( 4-20)9(17)12-3-8(15)16/h5 -6,20H,1-4,11H2,(H,12,17) (H,13,14)(H,15,16)(H,18,1 9)/p+1/t5-,6-/m0/s1; RWSXRVCMGQZWBV-WDSKDSINSA-O |
[NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC( O)=O)C(O)=O; C(CC(=O)N[C@@H](CS)C(=O)NCC (=O)O)[C@@H](C(=O)O)[NH3+]; [NH3+][CH](C CC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O; O=C (NCC(=O)O)C(NC(=O)CCC(C(=O)O)[NH3+])CS; C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)[NH 3+] |
GLUTATHIONE |
| 22432 | GTU CHEMBL4852444 |
1 | C20 H16 F N5 O2 | InChI=1S/C20H16FN5O2/c1-2 -7-20(8-9-28-19(23)26-20) 15-10-14(4-5-16(15)21)25- 18(27)17-6-3-13(11-22)12- 24-17/h3-6,10,12H,8-9H2,1 H3,(H2,23,26)(H,25,27)/t2 0-/m0/s1; DWCWSXLKLMTBSD-FQEVSTJZSA-N |
CC#CC1(CCOC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc (cn3)C#N; CC#C[C@]1(CCOC(=N1)N)c2cc(ccc2 F)NC(=O)c3ccc(cn3)C#N; CC#C[C]1(CCOC(=N1 )N)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F; CC#C[ C@]1(CCOC(=N1)N)c2cc(NC(=O)c3ccc(cn3)C#N )ccc2F |
N-[3-[(4R)-2-azanyl-4-prop-1-ynyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide |
| 22433 | GTV CHEMBL4545793 ZINC000020760687 |
4 | C12 H13 O5 P | InChI=1S/C12H13O5P/c1-7-3 -8(2)12-9(6-18(14,15)16)5 -11(13)17-10(12)4-7/h3-5H ,6H2,1-2H3,(H2,14,15,16); APYPWKQCSUQQTA-UHFFFAOYSA-N |
Cc1cc(C)c2C(=CC(=O)Oc2c1)C[P](O)(O)=O; C c2cc(C)c1C(CP(O)(O)=O)=CC(=O)Oc1c2; Cc1c c(c2c(c1)OC(=O)C=C2CP(=O)(O)O)C |
[(5,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid |
| 22434 | GTW | 24 | C32 H49 N5 O5 S2 | InChI=1S/C32H49N5O5S2/c1- 21(2)16-27(37-32(40)29-20 -34-22(3)43-29)31(39)36-2 8(18-23-8-6-5-7-9-23)30(3 8)35-26(14-15-44(4,41)42) 17-24-10-12-25(19-33)13-1 1-24/h10-13,20-21,23,26-2 8H,5-9,14-19,33H2,1-4H3,( H,35,38)(H,36,39)(H,37,40 )/t26-,27+,28+/m1/s1; ZGJWOTGESBPCTA-PKTNWEFCSA-N |
Cc1ncc(s1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@ H](CC2CCCCC2)C(=O)N[C@H](CCS(=O)(=O)C)Cc 3ccc(cc3)CN; CC(C)C[C@H](NC(=O)c1sc(C)nc 1)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H](CC[ S](C)(=O)=O)Cc3ccc(CN)cc3; CC(C)C[CH](NC (=O)c1sc(C)nc1)C(=O)N[CH](CC2CCCCC2)C(=O )N[CH](CC[S](C)(=O)=O)Cc3ccc(CN)cc3; Cc1 ncc(s1)C(=O)NC(CC(C)C)C(=O)NC(CC2CCCCC2) C(=O)NC(CCS(=O)(=O)C)Cc3ccc(cc3)CN |
~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide |
| 22435 | GTX | 107 | C16 H30 N3 O6 S | InChI=1S/C16H29N3O6S/c1-2 -3-4-5-8-26-10-12(15(23)1 8-9-14(21)22)19-13(20)7-6 -11(17)16(24)25/h11-12H,2 -10,17H2,1H3,(H,18,23)(H, 19,20)(H,21,22)(H,24,25)/ p+1/t11-,12-/m0/s1; HXJDWCWJDCOHDG-RYUDHWBXSA-O |
CCCCCCSC[CH](NC(=O)CC[CH]([NH3+])C(O)=O) C(=O)NCC(O)=O; CCCCCCSC[C@H](NC(=O)CC[C@ H]([NH3+])C(O)=O)C(=O)NCC(O)=O; O=C(O)CN C(=O)C(NC(=O)CCC(C(=O)O)[NH3+])CSCCCCCC; CCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O) O)[NH3+]; CCCCCCSC[C@@H](C(=O)NCC(=O)O)N C(=O)CC[C@@H](C(=O)O)[NH3+] |
S-HEXYLGLUTATHIONE |
| 22436 | GTY DB03032 ZINC000008234408 |
1 | C18 H33 N3 O6 S | InChI=1S/C18H33N3O6S/c1-2 -3-4-5-6-7-10-28-12-14(17 (25)20-11-16(23)24)21-15( 22)9-8-13(19)18(26)27/h13 -14H,2-12,19H2,1H3,(H,20, 25)(H,21,22)(H,23,24)(H,2 6,27)/t13-,14-/m0/s1; MJWCZWAVSJZQNL-KBPBESRZSA-N |
CCCCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[ C@@H](C(=O)O)N; CCCCCCCCSC[CH](NC(=O)CC[ CH](N)C(O)=O)C(=O)NCC(O)=O; O=C(O)C(N)CC C(=O)NC(C(=O)NCC(=O)O)CSCCCCCCCC; CCCCCC CCSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NC C(O)=O; CCCCCCCCSCC(C(=O)NCC(=O)O)NC(=O) CCC(C(=O)O)N |
L-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYLGLYCINE; S-OCTYLGLUTATHIONE |
| 22437 | GTZ DB02294 ZINC000033821340 |
8 | C6 H10 N4 O4 | InChI=1S/C6H10N4O4/c11-1- 2-3(12)4(13)5(14)6-7-8-9- 10(2)6/h2-5,11-14H,1H2/t2 -,3+,4+,5-/m1/s1; UCJXQRFJERKPOZ-MGCNEYSASA-N |
C([C@@H]1[C@@H]([C@@H]([C@H](c2n1nnn2)O) O)O)O; n1nnn2c1C(O)C(O)C(O)C2CO; C(C1C(C (C(c2n1nnn2)O)O)O)O; OC[CH]1[CH](O)[CH]( O)[CH](O)c2nnnn12; OC[C@@H]1[C@H](O)[C@H ](O)[C@@H](O)c2nnnn12 |
(5R, 6S, 7S, 8S)-5-HYDROXYMETHYL-6,7,8-TRIHYDROXY-TETRAZOLO[1,5-A]PIPERIDINE |
| 22438 | GU0 | 2 | C6 H9 O15 S3 | InChI=1S/C6H12O15S3/c7-3- 2(1-18-22(9,10)11)19-6(8) 5(21-24(15,16)17)4(3)20-2 3(12,13)14/h2-8H,1H2,(H,9 ,10,11)(H,12,13,14)(H,15, 16,17)/p-3/t2-,3-,4+,5-,6 -/m1/s1; GRHWGVDHRAZFMQ-VFUOTHLCSA-K |
C(C1C(C(C(C(O1)O)OS(=O)(=O)[O-])OS(=O)(= O)[O-])O)OS(=O)(=O)[O-]; O[CH]1O[CH](CO[ S]([O-])(=O)=O)[CH](O)[CH](O[S]([O-])(=O )=O)[CH]1O[S]([O-])(=O)=O; O[C@@H]1O[C@H ](CO[S]([O-])(=O)=O)[C@@H](O)[C@H](O[S]( [O-])(=O)=O)[C@H]1O[S]([O-])(=O)=O; C([C @@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OS(= O)(=O)[O-])OS(=O)(=O)[O-])O)OS(=O)(=O)[O -]; [O-]S(=O)(=O)OCC1OC(O)C(OS([O-])(=O) =O)C(OS([O-])(=O)=O)C1O |
2,3,6-tri-O-sulfonato-beta-D-glucopyranose; 2,3,6-tri-O-sulfonato-beta-D-glucose; 2,3,6-tri-O-sulfonato-D-glucose; 2,3,6-tri-O-sulfonato-glucose |
| 22439 | GU1 ZINC000006483311 |
8 | C8 H14 O7 | InChI=1S/C8H14O7/c1-13-4- 3(9)5(7(10)11)15-8(12)6(4 )14-2/h3-6,8-9,12H,1-2H3, (H,10,11)/t3-,4-,5-,6+,8+ /m0/s1; YEGNNGDFCAGXPA-GRJZWZNASA-N |
CO[CH]1[CH](O)O[CH]([CH](O)[CH]1OC)C(O)= O; CO[C@H]1[C@H](O)O[C@@H]([C@@H](O)[C@@ H]1OC)C(O)=O; O=C(O)C1OC(O)C(OC)C(OC)C1O ; COC1C(C(OC(C1OC)O)C(=O)O)O; CO[C@H]1[C @@H]([C@H](O[C@H]([C@@H]1OC)O)C(=O)O)O |
2,3-di-O-methyl-beta-D-glucopyranuronic acid; 2,3-di-O-methyl-beta-D-glucuronic acid; 2,3-di-O-methyl-D-glucuronic acid; 2,3-di-O-methyl-glucuronic acid |
| 22440 | GU2 | 2 | C8 H14 O7 | InChI=1S/C8H14O7/c1-13-4- 3(9)5(7(10)11)15-8(12)6(4 )14-2/h3-6,8-9,12H,1-2H3, (H,10,11)/t3?,4-,5+,6+,8+ /m0/s1; YEGNNGDFCAGXPA-OHZVEFKRSA-N |
CO[CH]1[CH](O)O[CH]([CH](O)[CH]1OC)C(O)= O; O=C(O)C1OC(O)C(OC)C(OC)C1O; COC1C(C(O C(C1OC)O)C(=O)O)O; CO[C@H]1[C@H](O)O[C@H ]([C@@H](O)[C@@H]1OC)C(O)=O; CO[C@H]1[C@ @H]([C@@H](O[C@H]([C@@H]1OC)O)C(=O)O)O |
2,3-di-O-methyl-alpha-L-idopyranuronic acid; 2,3-di-O-methyl-alpha-L-iduronic acid; 2,3-di-O-methyl-L-iduronic acid; 2,3-di-O-methyl-iduronic acid |
| 22441 | GU3 ZINC000031976985 |
2 | C8 H16 O12 S2 | InChI=1S/C8H16O12S2/c1-16 -6-5(9)4(3-18-21(10,11)12 )19-8(17-2)7(6)20-22(13,1 4)15/h4-9H,3H2,1-2H3,(H,1 0,11,12)(H,13,14,15)/t4-, 5-,6+,7-,8+/m1/s1; GFHCIIGKYHICQU-CBQIKETKSA-N |
CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OS(= O)(=O)O)OC)COS(=O)(=O)O)O; CO[CH]1O[CH]( CO[S](O)(=O)=O)[CH](O)[CH](OC)[CH]1O[S]( O)(=O)=O; COC1C(C(OC(C1OS(=O)(=O)O)OC)CO S(=O)(=O)O)O; O=S(=O)(O)OCC1OC(OC)C(OS(= O)(=O)O)C(OC)C1O; CO[C@H]1O[C@H](CO[S](O )(=O)=O)[C@@H](O)[C@H](OC)[C@H]1O[S](O)( =O)=O |
methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranoside; methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucoside; methyl 3-O-methyl-2,6-di-O-sulfo-D-glucoside; methyl 3-O-methyl-2,6-di-O-sulfo-glucoside |
| 22442 | GU4 ZINC000058632064 |
45 | C6 H12 O18 S4 | InChI=1S/C6H12O18S4/c7-6- 5(24-28(17,18)19)4(23-27( 14,15)16)3(22-26(11,12)13 )2(21-6)1-20-25(8,9)10/h2 -7H,1H2,(H,8,9,10)(H,11,1 2,13)(H,14,15,16)(H,17,18 ,19)/t2-,3-,4+,5-,6+/m1/s 1; SPIXVQOXHJQNTH-DVKNGEFBSA-N |
C(C1C(C(C(C(O1)O)OS(=O)(=O)O)OS(=O)(=O)O )OS(=O)(=O)O)OS(=O)(=O)O; OC1OC(COS(=O)( =O)O)C(OS(=O)(=O)O)C(OS(=O)(O)=O)C1OS(=O )(=O)O; C([C@@H]1[C@H]([C@@H]([C@H]([C@H ](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O )O)OS(=O)(=O)O; O[CH]1O[CH](CO[S](O)(=O) =O)[CH](O[S](O)(=O)=O)[CH](O[S](O)(=O)=O )[CH]1O[S](O)(=O)=O; O[C@H]1O[C@H](CO[S] (O)(=O)=O)[C@@H](O[S](O)(=O)=O)[C@H](O[S ](O)(=O)=O)[C@H]1O[S](O)(=O)=O |
2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose; 2,3,4,6-tetra-O-sulfonato-alpha-D-glucose; 2,3,4,6-tetra-O-sulfonato-D-glucose; 2,3,4,6-tetra-O-sulfonato-glucose |
| 22443 | GU5 | 2 | C8 H15 O9 S | InChI=1S/C8H16O9S/c1-14-6 -5(9)4(3-16-18(11,12)13)1 7-8(10)7(6)15-2/h4-10H,3H 2,1-2H3,(H,11,12,13)/p-1/ t4-,5?,6+,7-,8+/m1/s1; SYRNRUURZIIPLL-IINKRSELSA-M |
CO[CH]1[CH](O)O[CH](CO[S]([O-])(=O)=O)[C H](O)[CH]1OC; CO[C@H]1[C@@H]([C@H](O[C@@ H]([C@@H]1OC)O)COS(=O)(=O)[O-])O; [O-]S( =O)(=O)OCC1OC(O)C(OC)C(OC)C1O; COC1C(C(O C(C1OC)O)COS(=O)(=O)[O-])O; CO[C@H]1[C@@ H](O)O[C@H](CO[S]([O-])(=O)=O)[C@@H](O)[ C@@H]1OC |
2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose; 2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucose; 2,3-di-O-methyl-6-O-sulfonato-D-glucose; 2,3-di-O-methyl-6-O-sulfonato-glucose |
| 22444 | GU6 ZINC000136252347 |
13 | C6 H12 O15 S3 | InChI=1S/C6H12O15S3/c7-3- 2(1-18-22(9,10)11)19-6(8) 5(21-24(15,16)17)4(3)20-2 3(12,13)14/h2-8H,1H2,(H,9 ,10,11)(H,12,13,14)(H,15, 16,17)/t2-,3-,4+,5-,6+/m1 /s1; GRHWGVDHRAZFMQ-DVKNGEFBSA-N |
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O S(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O; O[ C@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O)[C@H ](O[S](O)(=O)=O)[C@H]1O[S](O)(=O)=O; C1( C(C(OS(=O)(O)=O)C(O)C(COS(=O)(O)=O)O1)OS (O)(=O)=O)O; O[CH]1O[CH](CO[S](O)(=O)=O) [CH](O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(= O)=O; C(C1C(C(C(C(O1)O)OS(=O)(=O)O)OS(=O )(=O)O)O)OS(=O)(=O)O |
2,3,6-tri-O-sulfo-alpha-D-glucopyranose; 2,3,6-TRI-O-SULFONATO-ALPHA-D-GLUCOPYRANOSE; 2,3,6-tri-O-sulfo-alpha-D-glucose; 2,3,6-tri-O-sulfo-D-glucose; 2,3,6-tri-O-sulfo-glucose |
| 22445 | GU7 DB02391 ZINC000003606143 |
1 | C10 H16 N6 O3 | InChI=1S/C10H16N6O3/c11-1 0-14-8-7(9(19)15-10)16(5- 13-8)2-1-12-6(3-17)4-18/h 5-6,12,17-18H,1-4H2,(H3,1 1,14,15,19); XYCDSKWPYZSIDU-UHFFFAOYSA-N |
O=C2c1c(ncn1CCNC(CO)CO)N=C(N2)N; NC1=Nc2 ncn(CCNC(CO)CO)c2C(=O)N1; c1nc2c(n1CCNC( CO)CO)C(=O)NC(=N2)N |
2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-PURIN-6-ONE |
| 22446 | GU8 | 0 | C9 H18 O6 | InChI=1S/C9H18O6/c1-12-4- 5-6(10)7(13-2)8(14-3)9(11 )15-5/h5-11H,4H2,1-3H3/t5 -,6?,7+,8-,9-/m1/s1; LXJBARMBDDODTG-SRBFPGQKSA-N |
COC[C@H]1O[C@@H](O)[C@H](OC)[C@@H](OC)[C @@H]1O; COC[C@@H]1[C@H]([C@@H]([C@H]([C@ @H](O1)O)OC)OC)O; COC[CH]1O[CH](O)[CH](O C)[CH](OC)[CH]1O; COCC1C(C(C(C(O1)O)OC)O C)O; O(C)C1C(OC)C(O)C(OC1O)COC |
2,3,6-tri-O-methyl-beta-D-glucopyranose; 2,3,6-tri-O-methyl-beta-D-glucose; 2,3,6-tri-O-methyl-D-glucose; 2,3,6-tri-O-methyl-glucose |
| 22447 | GU9 | 0 | C9 H18 O6 | InChI=1S/C9H18O6/c1-12-4- 5-6(10)7(13-2)8(14-3)9(11 )15-5/h5-11H,4H2,1-3H3/t5 -,6?,7+,8-,9+/m1/s1; LXJBARMBDDODTG-MSMGWUHYSA-N |
COC[C@H]1O[C@H](O)[C@H](OC)[C@@H](OC)[C@ @H]1O; COC[CH]1O[CH](O)[CH](OC)[CH](OC)[ CH]1O; COCC1C(C(C(C(O1)O)OC)OC)O; COC[C@ @H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OC)OC) O; O(C)C1C(OC)C(O)C(OC1O)COC |
2,3,6-tri-O-methyl-alpha-D-glucopyranose; 2,3,6-tri-O-methyl-alpha-D-glucose; 2,3,6-tri-O-methyl-D-glucose; 2,3,6-tri-O-methyl-glucose |
| 22448 | GUA CHEMBL1162495 DB03553 ZINC000000388706 |
52 | C5 H8 O4 | InChI=1S/C5H8O4/c6-4(7)2- 1-3-5(8)9/h1-3H2,(H,6,7)( H,8,9); JFCQEDHGNNZCLN-UHFFFAOYSA-N |
C(CC(=O)O)CC(=O)O; O=C(O)CCCC(=O)O; OC(= O)CCCC(O)=O |
GLUTARIC ACID |
| 22449 | GUB ZINC000003874444 |
1 | C18 H21 N5 O4 | InChI=1S/C18H21N5O4/c24-8 -12-14(25)15(26)18(27-12) 23-10-22-13-16(20-9-21-17 (13)23)19-7-6-11-4-2-1-3- 5-11/h1-5,9-10,12,14-15,1 8,24-26H,6-8H2,(H,19,20,2 1)/t12-,14+,15+,18+/m0/s1; LGZYEDZSPHLISU-KDQZPGIASA-N |
OC[C@@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c (NCCc4ccccc4)ncnc23; c1ccc(cc1)CCNc2c3c( ncn2)n(cn3)C4C(C(C(O4)CO)O)O; c1ccc(cc1) CCNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]( [C@@H](O4)CO)O)O; n2c1c(ncnc1n(c2)C3OC(C (O)C3O)CO)NCCc4ccccc4; OC[CH]1O[CH]([CH] (O)[CH]1O)n2cnc3c(NCCc4ccccc4)ncnc23 |
9-alpha-L-lyxofuranosyl-N-(2-phenylethyl)-9H-purin-6-amine |
| 22450 | GUC | 1 | C23 H18 F2 N6 O | InChI=1S/C23H18F2N6O/c1-1 2-7-13(10-26)11-29-19(12) 22(32)30-14-3-4-18(24)17( 8-14)23(2)9-16-15(21(27)3 1-23)5-6-28-20(16)25/h3-8 ,11H,9H2,1-2H3,(H2,27,31) (H,30,32)/t23-/m0/s1; UOHLPZVSOSMODJ-QHCPKHFHSA-N |
Cc1cc(cnc1C(=O)Nc2ccc(F)c(c2)[C@]3(C)Cc4 c(F)nccc4C(=N3)N)C#N; Cc1cc(cnc1C(=O)Nc2 ccc(c(c2)C3(Cc4c(ccnc4F)C(=N3)N)C)F)C#N; Cc1cc(cnc1C(=O)Nc2ccc(F)c(c2)[C]3(C)Cc4 c(F)nccc4C(=N3)N)C#N; Cc1cc(cnc1C(=O)Nc2 ccc(c(c2)[C@@]3(Cc4c(ccnc4F)C(=N3)N)C)F) C#N |
N-[3-[(3S)-1-azanyl-5-fluoranyl-3-methyl-4H-2,6-naphthyridin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide |
| 22451 | GUD | 0 | C15 H24 N2 O17 P2 | InChI=1S/C15H24N2O17P2/c1 8-3-5-8(20)10(22)12(24)14 (32-5)33-36(28,29)34-35(2 6,27)30-4-6-9(21)11(23)13 (31-6)17-2-1-7(19)16-15(1 7)25/h1-2,5-6,8-14,18,20- 24H,3-4H2,(H,26,27)(H,28, 29)(H,16,19,25)/t5-,6-,8- ,9-,10+,11-,12-,13-,14-/m 1/s1; HSCJRCZFDFQWRP-JZMIEXBBSA-N |
OC[C@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[ C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)N C3=O)[C@H](O)[C@@H](O)[C@@H]1O; O=C1C=CN (C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3 OC(C(O)C(O)C3O)CO)O)O; C1=CN(C(=O)NC1=O) [C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O) (O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@ @H]([C@H](O3)CO)O)O)O)O)O; OC[CH]1O[CH]( O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH]( O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[ CH]1O; C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(= O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O |
GLUCOSE-URIDINE-C1,5'-DIPHOSPHATE |
| 22452 | GUE ZINC000004228270 |
9 | C20 H22 N7 O6 | InChI=1S/C20H21N7O6/c21-2 0-24-16-15(18(31)25-20)27 -9-26(8-12(27)7-22-16)11- 3-1-10(2-4-11)17(30)23-13 (19(32)33)5-6-14(28)29/h1 -4,9,12-13H,5-8H2,(H6-,21 ,22,23,24,25,28,29,30,31, 32,33)/p+1/t12-,13+/m1/s1; MEANFMOQMXYMCT-OLZOCXBDSA-O |
c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N2CC3CN C4=C([N+]3=C2)C(=O)N=C(N4)N; NC1=NC(=O)C 2=C(NC[CH]3CN(C=[N+]23)c4ccc(cc4)C(=O)N[ CH](CCC(O)=O)C(O)=O)N1; c1cc(ccc1C(=O)N[ C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C([N +]3=C2)C(=O)N=C(N4)N; NC1=NC(=O)C2=C(NC[ C@@H]3CN(C=[N+]23)c4ccc(cc4)C(=O)N[C@@H] (CCC(O)=O)C(O)=O)N1 |
5,10-Methenyltetrahydrofolate |
| 22453 | GUF ZINC000098208971 |
2 | C6 H9 F O6 | InChI=1S/C6H9FO6/c7-1-2(8 )3(9)4(5(10)11)13-6(1)12/ h1-4,6,8-9,12H,(H,10,11)/ t1-,2-,3+,4+,6-/m1/s1; LDVYRSUUUDDWHG-LVBGKUAWSA-N |
O[CH]1O[CH]([CH](O)[CH](O)[CH]1F)C(O)=O; [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1F)O) C(=O)O)O)O; FC1C(O)C(O)C(OC1O)C(=O)O; C1 (C(C(OC(C1F)O)C(=O)O)O)O; O[C@@H]1O[C@@H ]([C@@H](O)[C@H](O)[C@H]1F)C(O)=O |
2-deoxy-2-fluoro-beta-D-glucopyranuronic acid; 2-deoxy-2-fluoro-beta-glucuronide; 2-deoxy-2-fluoro-beta-D-glucuronic acid; 2-deoxy-2-fluoro-D-glucuronic acid; 2-deoxy-2-fluoro-glucuronic acid |
| 22454 | GUG ZINC000000459160 |
1 | C13 H14 N2 O | InChI=1S/C13H14N2O/c1-9(2 )14-13(16)12-8-7-10-5-3-4 -6-11(10)15-12/h3-9H,1-2H 3,(H,14,16); MWZFFJAEAZQGLX-UHFFFAOYSA-N |
CC(C)NC(=O)c1ccc2ccccc2n1 | ~{N}-propan-2-ylquinoline-2-carboxamide |
| 22455 | GUH | 1 | H20 Mo6 O26 | InChI=1S/6Mo.20H2O.6O/h;; ;;;;20*1H2;;;;;;/q+1;+3;4 *+4;;;;;;;;;;;;;;;;;;;;;; 5*+1/p-20; BRWUKIRZWYQFIE-UHFFFAOYSA-A |
O[Mo]1([O+]2[Mo]([O+]3[Mo]245([O+]1[Mo]( [O+]4[Mo]6([O+]5[Mo]3(O6)(O)(O)O)(O)(O)( O)O)(O)(O)(O)O)O)(O)(O)(O)O)(O)(O)O; O[M o]1(O)(O)(O)[O+]2[Mo](O)(O)(O)(O)[O+]3[M o]4(O)(O)(O)O[Mo]5(O)(O)(O)(O)[O+]6[Mo]( O)(O)(O)(O)[O+]1[Mo]236(O)[O+]45 |
Mo6 cluster |
| 22456 | GUI CHEMBL509032 ZINC000055760827 |
4 | C30 H40 Cl N7 O3 S | InChI=1S/C30H40ClN7O3S/c1 -21(2)42(39,40)28-8-6-5-7 -26(28)33-29-24(31)20-32- 30(35-29)34-25-10-9-23(19 -27(25)41-4)37-13-11-22(1 2-14-37)38-17-15-36(3)16- 18-38/h5-10,19-22H,11-18H 2,1-4H3,(H2,32,33,34,35); QQWUGDVOUVUTOY-UHFFFAOYSA-N |
O=S(=O)(c1ccccc1Nc2nc(ncc2Cl)Nc3ccc(cc3O C)N5CCC(N4CCN(CC4)C)CC5)C(C)C; CC(C)S(=O )(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4 CCC(CC4)N5CCN(CC5)C)Cl; COc1cc(ccc1Nc2nc c(Cl)c(Nc3ccccc3[S](=O)(=O)C(C)C)n2)N4CC C(CC4)N5CCN(C)CC5 |
5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]PHENYL]-N'-(2-PROPAN-2-YLSULFONYLPHENYL)PYRIMIDINE-2,4-DIAMINE; 4-[1-(4-{[5-CHLORO-4-({2-[(1-METHYLETHYL)SULFONYL]PHENYL}AMINO)PYRIMIDIN-2-YL]AMINO}-3-METHOXYPHENYL)PIPERIDIN-4-YL]-1-METHYLPIPERAZIN-1-IUM |
| 22457 | GUJ CHEMBL4562288 |
1 | C17 H17 N3 O S | InChI=1S/C17H17N3OS/c1-11 -14(8-13-6-4-3-5-7-13)15- 9-21-10-16-19-18-12(2)20( 16)17(15)22-11/h3-7H,8-10 H2,1-2H3; QLGVMPYXPORRCO-UHFFFAOYSA-N |
Cc1sc2n3c(C)nnc3COCc2c1Cc4ccccc4; Cc1c(c 2c(s1)-n3c(nnc3COC2)C)Cc4ccccc4; c3(nnc4 COCc1c(sc(c1Cc2ccccc2)C)n34)C |
3-benzyl-2,9-dimethyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine |
| 22458 | GUK | 1 | C16 H15 Cl N6 | InChI=1S/C16H15ClN6/c1-9( 2)20-13-6-15(17)22-23-14( 8-18-16(13)23)10-3-4-12-1 1(5-10)7-19-21-12/h3-9,20 H,1-2H3,(H,19,21); TZFOHQPMYQZELA-UHFFFAOYSA-N |
CC(C)Nc1cc(nn2c1ncc2c3ccc4c(c3)c[nH]n4)C l; CC(C)Nc1cc(Cl)nn2c(cnc12)c3ccc4n[nH]c c4c3 |
6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine |
| 22459 | GUL DB03008 |
2 | C6 H10 F2 O5 | InChI=1S/C6H10F2O5/c7-5-3 (11)2(10)4(12)6(8,1-9)13- 5/h2-5,9-12H,1H2/t2-,3+,4 +,5?,6+/m1/s1; MGHYRMVVRYCAON-NURPGYHYSA-N |
C(C1(C(C(C(C(O1)F)O)O)O)F)O; C([C@]1([C@ H]([C@@H]([C@@H](C(O1)F)O)O)O)F)O; FC1OC (F)(C(O)C(O)C1O)CO; OC[C]1(F)O[CH](F)[CH ](O)[CH](O)[CH]1O; OC[C@]1(F)O[C@H](F)[C @@H](O)[C@@H](O)[C@@H]1O |
(2R,3S,4R,5S)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol; 5-FLUORO-BETA-L-GULOSYL FLUORIDE |
| 22460 | GUM DB02759 ZINC000015288235 |
1 | C26 H34 N2 O13 | InChI=1S/C26H34N2O13/c1-1 0-6-18(33)38-15-7-13(4-5- 14(10)15)37-25-20(28-12(3 )32)23(36)24(17(9-30)40-2 5)41-26-19(27-11(2)31)22( 35)21(34)16(8-29)39-26/h4 -7,16-17,19-26,29-30,34-3 6H,8-9H2,1-3H3,(H,27,31)( H,28,32)/t16-,17-,19-,20- ,21-,22-,23-,24-,25-,26+/ m1/s1; UPSFMJHZUCSEHU-JYGUBCOQSA-N |
CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1 O[CH]2[CH](O)[CH](NC(C)=O)[CH](O[CH]2CO) Oc3ccc4C(=CC(=O)Oc4c3)C; O=C(NC4C(O)C(O) C(OC4OC3C(OC(Oc1cc2OC(=O)C=C(c2cc1)C)C(N C(=O)C)C3O)CO)CO)C; CC1=CC(=O)Oc2c1ccc(c 2)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O) NC(=O)C)O)NC(=O)C; CC(=O)N[C@@H]1[C@@H]( O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]2[C@H]( O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)Oc3cc c4C(=CC(=O)Oc4c3)C; CC1=CC(=O)Oc2c1ccc(c 2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO )O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO) O)O)NC(=O)C)O)NC(=O)C |
4-METHYL-UMBELLIFERYL-N-ACETYL-CHITOBIOSE; 4-METHYLUMBELLIFERYL CHITOBIOSE |
| 22461 | GUN CHEMBL219568 DB02377 ZINC000000895129 |
55 | C5 H5 N5 O | InChI=1S/C5H5N5O/c6-5-9-3 -2(4(11)10-5)7-1-8-3/h1H, (H4,6,7,8,9,10,11); UYTPUPDQBNUYGX-UHFFFAOYSA-N |
NC1=Nc2[nH]cnc2C(=O)N1; O=C1c2ncnc2N=C(N 1)N; c1[nH]c2c(n1)C(=O)NC(=N2)N |
GUANINE |
| 22462 | GUO ZINC000004096589 |
8 | C15 H25 N5 O15 P2 | InChI=1S/C15H25N5O15P2/c1 6-12(25)7-13(17-3-18-14-1 0(23)8(21)5(34-14)1-32-36 (26,27)28)20(4-19-7)15-11 (24)9(22)6(35-15)2-33-37( 29,30)31/h3-6,8-11,14-15, 21-24H,1-2H2,(H2,16,25)(H ,17,18)(H2,26,27,28)(H2,2 9,30,31)/t5-,6-,8-,9-,10- ,11-,14-,15-/m1/s1; QOUSHGMTBIIAHR-KEOHHSTQSA-N |
NC(=O)c1ncn([CH]2O[CH](CO[P](O)(O)=O)[CH ](O)[CH]2O)c1N=CN[CH]3O[CH](CO[P](O)(O)= O)[CH](O)[CH]3O; c1nc(c(n1C2C(C(C(O2)COP (=O)(O)O)O)O)N=CNC3C(C(C(O3)COP(=O)(O)O) O)O)C(=O)N; c1nc(c(n1[C@H]2[C@@H]([C@@H] ([C@H](O2)COP(=O)(O)O)O)O)/N=C/N[C@H]3[C @@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(= O)N; NC(=O)c1ncn([C@@H]2O[C@H](CO[P](O)( O)=O)[C@@H](O)[C@H]2O)c1N=CN[C@@H]3O[C@H ](CO[P](O)(O)=O)[C@@H](O)[C@H]3O |
[(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
| 22463 | GUP ZINC000000896169 |
5 | C6 H12 O6 | InChI=1S/C6H12O6/c7-1-2-3 (8)4(9)5(10)6(11)12-2/h2- 11H,1H2/t2-,3+,4-,5-,6+/m 0/s1; WQZGKKKJIJFFOK-BYIBVSMXSA-N |
C([C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O) O)O)O)O; C(C1C(C(C(C(O1)O)O)O)O)O; OC[CH ]1O[CH](O)[CH](O)[CH](O)[CH]1O; OC[C@@H] 1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O; O C1C(O)C(OC(O)C1O)CO |
alpha-L-gulopyranose; alpha-L-gulose; L-gulose; gulose; ALPHA-L-GULOPYRANOSIDE |
| 22464 | GUQ CHEMBL4871036 |
1 | C18 H13 N3 O3 S | InChI=1S/C18H13N3O3S/c1-2 4-12-8-4-2-6-10(12)14-15( 17(23)21-16(14)22)20-18-1 9-11-7-3-5-9-13(11)25-18/ h2-9H,1H3,(H2,19,20,21,22 ,23); DKODQPUAYQCESR-UHFFFAOYSA-N |
COc1ccccc1C2=C(Nc3sc4ccccc4n3)C(=O)NC2=O ; COc1ccccc1C2=C(C(=O)NC2=O)Nc3nc4ccccc4 s3 |
3-(1,3-benzothiazol-2-ylamino)-4-(2-methoxyphenyl)pyrrole-2,5-dione |
| 22465 | GUR | 0 | C4 H6 N4 O2 | InChI=1/C4H6N4O2/c9-3-5-1 -2(7-3)8-4(10)6-1/h1-2H,( H2,5,7,9)(H2,6,8,10)/t1-, 2+/f/h5-8H; VPVSTMAPERLKKM-VULYJZGWDX |
C12C(NC(=O)N1)NC(=O)N2; O=C1NC2NC(=O)NC2 N1; O=C1N[C@@H]2NC(=O)N[C@@H]2N1; O=C1N[ CH]2NC(=O)N[CH]2N1 |
GLYCOLURIL |
| 22466 | GUS ZINC000058632305 |
1 | C11 H14 N4 O3 | InChI=1S/C11H14N4O3/c1-6( 10(17)18)14-5-7-4-8(15-11 (12)13)2-3-9(7)16/h2-6,16 H,1H3,(H,17,18)(H4,12,13, 15)/b14-5+/t6-/m0/s1; XIDJFBOMDZEVTM-JHKKWMAKSA-N |
C[CH](N=Cc1cc(NC(N)=N)ccc1O)C(O)=O; CC(C (=O)O)N=Cc1cc(ccc1O)NC(=N)N; C[C@H](N=Cc 1cc(NC(N)=N)ccc1O)C(O)=O; [H]/N=C(\N)/Nc 1ccc(c(c1)/C=N/[C@@H](C)C(=O)O)O |
(E)-N-[(5-carbamimidamido-2-hydroxyphenyl)methylidene]-L-alanine; m-guanidinosalicylidene-L-alanine |
| 22467 | GUT CHEMBL4795863 |
2 | C28 H30 N6 O2 | InChI=1S/C28H30N6O2/c1-4- 23(35)30-21-8-6-7-20(17-2 1)24-25-27(29-18-33(5-2)2 8(25)36)31-26(24)19-9-11- 22(12-10-19)34-15-13-32(3 )14-16-34/h4,6-12,17-18,3 1H,1,5,13-16H2,2-3H3,(H,3 0,35); SJISLOFCWOMXJD-UHFFFAOYSA-N |
CCN1C=Nc2[nH]c(c3ccc(cc3)N4CCN(C)CC4)c(c 5cccc(NC(=O)C=C)c5)c2C1=O; CCN1C=Nc2c(c( c([nH]2)c3ccc(cc3)N4CCN(CC4)C)c5cccc(c5) NC(=O)C=C)C1=O |
~{N}-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide |
| 22468 | GUU | 1 | C19 H27 N5 O5 S | InChI=1S/C19H27N5O5S/c1-3 -14-17(18(20)23-19(21)22- 14)29-12-6-11-28-15-8-5-4 -7-13(15)9-10-16(25)24-30 (2,26)27/h4-5,7-8H,3,6,9- 12H2,1-2H3,(H,24,25)(H4,2 0,21,22,23); OWLQKSDLILILFX-UHFFFAOYSA-N |
CCc1nc(N)nc(N)c1OCCCOc2ccccc2CCC(=O)N[S] (C)(=O)=O; CCc1nc(N)nc(N)c1OCCCOc1ccccc1 CCC(=O)NS(C)(=O)=O; CCc1c(c(nc(n1)N)N)OC CCOc2ccccc2CCC(=O)NS(=O)(=O)C |
3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(methanesulfonyl)propanamide |
| 22469 | GUV CHEMBL1541543 ZINC000000096471 |
1 | C13 H14 N4 O | InChI=1S/C13H14N4O/c1-9-1 5-7-6-12(16-9)10-4-3-5-11 (8-10)17-13(18)14-2/h3-8H ,1-2H3,(H2,14,17,18); AEADJOBCASCCHA-UHFFFAOYSA-N |
CNC(=O)Nc1cccc(c1)c2ccnc(C)n2; Cc1nccc(n 1)c2cccc(c2)NC(=O)NC |
1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea |
| 22470 | GUW | 2 | C16 H14 N4 O2 | InChI=1S/C16H14N4O2/c1-3- 13(21)20-11-6-4-5-10(7-11 )12-8-17-15-14(12)16(22-2 )19-9-18-15/h3-9H,1H2,2H3 ,(H,20,21)(H,17,18,19); ZUUXJSSZHCHQQR-UHFFFAOYSA-N |
COc1c2c(c[nH]c2ncn1)c3cccc(c3)NC(=O)C=C; COc1ncnc2[nH]cc(c3cccc(NC(=O)C=C)c3)c12 |
~{N}-[3-(4-methoxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide |
| 22471 | GUX | 3 | C15 H26 N4 O5 | InChI=1S/C15H26N4O5/c16-1 8-17-7-5-3-1-2-4-6-8-19-1 0-9(15(23)24)12(20)14(22) 13(21)11(10)19/h9-14,20-2 2H,1-8H2,(H,23,24)/t9-,10 +,11+,12+,13-,14-,19-/m0/ s1; APKXYKNLAPKFAH-AAFBOLKUSA-N |
C(CCCCN1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H] ([C@H]2C(=O)O)O)O)O)CCCN=[N+]=[N-]; O[CH ]1[CH](O)[CH]2[CH]([CH]([CH]1O)C(O)=O)N2 CCCCCCCCN=[N+]=[N-]; O[C@@H]1[C@@H](O)[C @H]2[C@@H]([C@@H]([C@H]1O)C(O)=O)N2CCCCC CCCN=[N+]=[N-]; C(CCCCN1C2C1C(C(C(C2C(=O )O)O)O)O)CCCN=[N+]=[N-] |
(1~{R},2~{S},3~{R},4~{S},5~{S},6~{R})-7-[8-[(azanylidene-{4}-azanylidene)amino]octyl]-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid |
| 22472 | GUY ZINC000000569439 |
2 | C9 H11 N5 O2 | InChI=1S/C9H11N5O2/c1-2-5 -14-9(11-12-13-14)10-8(15 )7-4-3-6-16-7/h3-4,6H,2,5 H2,1H3,(H,10,11,13,15); XGSKVFLLSUZGMA-UHFFFAOYSA-N |
CCCn1c(nnn1)NC(=O)c2ccco2; CCCn1nnnc1NC( =O)c2occc2 |
~{N}-(1-propyl-1,2,3,4-tetrazol-5-yl)furan-2-carboxamide |
| 22473 | GUZ ZINC000098208972 |
1 | C6 H9 F O6 | InChI=1S/C6H9FO6/c7-1-2(8 )3(9)4(5(10)11)13-6(1)12/ h1-4,6,8-9,12H,(H,10,11)/ t1-,2-,3+,4+,6+/m1/s1; LDVYRSUUUDDWHG-CLQWQSTFSA-N |
O[CH]1O[CH]([CH](O)[CH](O)[CH]1F)C(O)=O; FC1C(O)C(O)C(OC1O)C(=O)O; O[C@H]1O[C@@H ]([C@@H](O)[C@H](O)[C@H]1F)C(O)=O; C1(C( C(OC(C1F)O)C(=O)O)O)O; [C@@H]1([C@@H]([C @H](O[C@@H]([C@@H]1F)O)C(=O)O)O)O |
2-deoxy-2-fluoro-alpha-D-glucopyranuronic acid; 2-deoxy-2-fluoro-alpha-glucuronide; 2-deoxy-2-fluoro-alpha-D-glucuronic acid; 2-deoxy-2-fluoro-D-glucuronic acid; 2-deoxy-2-fluoro-glucuronic acid |
| 22474 | GV0 CHEMBL3039525 DB11977 ZINC000043195317 |
1 | C33 H37 F2 N7 O4 | InChI=1S/C33H37F2N7O4/c1- 40-16-18-41(19-17-40)24-9 -14-42(15-10-24)32(45)39- 29-21-26(8-13-36-29)46-25 -6-7-28(27(35)20-25)38-31 (44)33(11-12-33)30(43)37- 23-4-2-22(34)3-5-23/h2-8, 13,20-21,24H,9-12,14-19H2 ,1H3,(H,37,43)(H,38,44)(H ,36,39,45); UQRCJCNVNUFYDX-UHFFFAOYSA-N |
CN1CCN(CC1)C2CCN(CC2)C(=O)Nc3cc(Oc4ccc(N C(=O)C5(CC5)C(=O)Nc6ccc(F)cc6)c(F)c4)ccn 3; C1CN(C)CCN1C2CCN(CC2)C(Nc3nccc(c3)Oc4 ccc(c(c4)F)NC(C5(CC5)C(Nc6ccc(cc6)F)=O)= O)=O; CN1CCN(CC1)C2CCN(CC2)C(=O)Nc3cc(cc n3)Oc4ccc(c(c4)F)NC(=O)C5(CC5)C(=O)Nc6cc c(cc6)F |
golvatinib |
| 22475 | GV1 ZINC000000784866 |
7 | C10 H13 N3 S | InChI=1S/C10H13N3S/c1-6-7 (2)14-10-8(6)9(13(3)4)11- 5-12-10/h5H,1-4H3; YFDMPSHJDVETSL-UHFFFAOYSA-N |
CN(C)c1ncnc2sc(C)c(C)c12; Cc1c(sc2c1c(nc n2)N(C)C)C |
~{N},~{N},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine |
| 22476 | GV2 CHEMBL5286061 |
1 | C28 H26 N6 O2 | InChI=1S/C28H26N6O2/c1-34 -11-5-18-2-3-19(14-26(18) 34)23-15-21(16-24-27(23)3 1-10-9-30-24)32-25-17-29- 8-4-22(25)28(35)33-20-6-1 2-36-13-7-20/h2-5,8-11,14 -17,20,32H,6-7,12-13H2,1H 3,(H,33,35); PNSFFJLFHRNWQC-UHFFFAOYSA-N |
Cn1ccc2ccc(cc12)c3cc(Nc4cnccc4C(=O)NC5CC OCC5)cc6nccnc36; Cn1ccc2c1cc(cc2)c3cc(cc 4c3nccn4)Nc5cnccc5C(=O)NC6CCOCC6 |
3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(oxan-4-yl)pyridine-4-carboxamide |
| 22477 | GV3 | 1 | C20 H26 N8 O3 S | InChI=1S/C20H26N8O3S/c21- 17-14-18(25-10-24-17)28(1 1-26-14)19-16(30)15(29)13 (31-19)9-32-8-4-7-23-20(2 2)27-12-5-2-1-3-6-12/h1-3 ,5-6,10-11,13,15-16,19,29 -30H,4,7-9H2,(H2,21,24,25 )(H3,22,23,27)/t13-,15-,1 6-,19-/m1/s1; PAOYFGCZLHEXFB-NVQRDWNXSA-N |
c1ccc(cc1)NC(=N)NCCCSCC2C(C(C(O2)n3cnc4c 3ncnc4N)O)O; Nc1ncnc2n(cnc12)[CH]3O[CH]( CSCCCNC(=N)Nc4ccccc4)[CH](O)[CH]3O; Nc1n cnc2n(cnc12)[C@@H]3O[C@H](CSCCCNC(=N)Nc4 ccccc4)[C@@H](O)[C@H]3O; [H]/N=C(\NCCCSC [C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncn c3N)O)O)/Nc4ccccc4; N=C(Nc1ccccc1)NCCCSC C1OC(n2cnc3c(N)ncnc32)C(O)C1O |
5'-S-[3-(N'-phenylcarbamimidamido)propyl]-5'-thioadenosine |
| 22478 | GV4 ZINC000000141498 |
3 | C9 H12 N4 O | InChI=1S/C9H12N4O/c1-6-9( 7(2)13(3)12-6)11-8(14)4-5 -10/h4H2,1-3H3,(H,11,14); GCDMTIQQHYQVGI-UHFFFAOYSA-N |
Cc1c(c(n(n1)C)C)NC(=O)CC#N; Cn1nc(C)c(NC (=O)CC#N)c1C |
2-cyano-~{N}-(1,3,5-trimethylpyrazol-4-yl)ethanamide |
| 22479 | GV5 | 1 | C22 H21 N5 O2 S | InChI=1S/C22H21N5O2S/c1-2 7(2)17-6-4-5-15(11-17)18- 12-16(13-19-22(18)25-10-9 -24-19)26-20-14-23-8-7-21 (20)30(3,28)29/h4-14,26H, 1-3H3; MGSNILVOZHNEMV-UHFFFAOYSA-N |
CN(C)c1cccc(c1)c2cc(Nc3cnccc3[S](C)(=O)= O)cc4nccnc24; CN(C)c1cccc(c1)c2cc(cc3c2n ccn3)Nc4cnccc4S(=O)(=O)C |
8-[3-(dimethylamino)phenyl]-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine |
| 22480 | GV6 | 2 | C16 H25 N6 O8 P | InChI=1S/C16H25N6O8P/c1-3 -7(2)9(17)16(25)30-31(26, 27)28-4-8-11(23)12(24)15( 29-8)22-6-21-10-13(18)19- 5-20-14(10)22/h5-9,11-12, 15,23-24H,3-4,17H2,1-2H3, (H,26,27)(H2,18,19,20)/t7 -,8+,9-,11+,12+,15+/m0/s1; ACZWYNUJBRLCEC-XATJSACLSA-N |
CCC(C)C(C(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc 3c2ncnc3N)O)O)N; CC[C@H](C)[C@@H](C(=O)O P(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n 2cnc3c2ncnc3N)O)O)N; CC[C@H](C)[C@H](N)C (=O)O[P](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C @@H]1O)n2cnc3c(N)ncnc23; CC[CH](C)[CH](N )C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH ]1O)n2cnc3c(N)ncnc23 |
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2S,3S)-2-azanyl-3-methyl-pentanoate |
| 22481 | GV7 ZINC000001243299 |
1 | C12 H11 N5 O | InChI=1S/C12H11N5O/c1-8-6 -11(17-12(15-8)13-7-14-17 )16-9-2-4-10(18)5-3-9/h2- 7,16,18H,1H3; QHEXWJVMHICYCY-UHFFFAOYSA-N |
Cc1cc(Nc2ccc(O)cc2)n3ncnc3n1; Cc1cc(n2c( n1)ncn2)Nc3ccc(cc3)O; n12c(cc(C)nc1ncn2) Nc3ccc(O)cc3 |
4-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol |
| 22482 | GV8 | 1 | C23 H18 N4 O3 S | InChI=1S/C23H18N4O3S/c1-1 4-13-30-21-4-3-15(9-17(14 )21)18-10-16(11-19-23(18) 26-8-7-25-19)27-20-12-24- 6-5-22(20)31(2,28)29/h3-1 3,27H,1-2H3; OTFZEDIHBPYVKA-UHFFFAOYSA-N |
Cc1coc2ccc(cc12)c3cc(Nc4cnccc4[S](C)(=O) =O)cc5nccnc35; Cc1coc2c1cc(cc2)c3cc(cc4c 3nccn4)Nc5cnccc5S(=O)(=O)C |
8-(3-methyl-1-benzofuran-5-yl)-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine |
| 22483 | GV9 ZINC000000080264 |
6 | C7 H7 N O3 S | InChI=1S/C7H7NO3S/c1-4(9) 8-5-2-3-12-6(5)7(10)11/h2 -3H,1H3,(H,8,9)(H,10,11); LLKLTQJOEPWBOE-UHFFFAOYSA-N |
CC(=O)Nc1ccsc1C(=O)O; O=C(Nc1c(scc1)C(=O )O)C; CC(=O)Nc1ccsc1C(O)=O |
3-(acetylamino)thiophene-2-carboxylic acid |
| 22484 | GVA CHEMBL178889 ZINC000004654884 |
4 | C6 H13 N3 O2 | InChI=1S/C6H13N3O2/c7-6(8 )9-4-2-1-3-5(10)11/h1-4H2 ,(H,10,11)(H4,7,8,9); UKUBCVAQGIZRHL-UHFFFAOYSA-N |
[H]/N=C(/N)\NCCCCC(=O)O; NC(=N)NCCCCC(O) =O; [H]N=C(N)NCCCCC(=O)O; O=C(O)CCCCNC(= [N@H])N |
5-{[AMINO(IMINO)METHYL]AMINO}PENTANOIC ACID; 5-GUANIDINOVALERIC ACID |
| 22485 | GVB DB07851 ZINC000035942375 |
2 | C20 H26 N2 O2 | InChI=1S/C20H26N2O2/c1-14 -5-4-6-15(11-14)17-13-22( 10-9-18(17)21)16-7-8-19(2 3-2)20(12-16)24-3/h4-8,11 -12,17-18H,9-10,13,21H2,1 -3H3/t17-,18-/m0/s1; DQJXBZGPJVSWFI-ROUUACIJSA-N |
Cc1cccc(c1)[C@@H]2C[N@@](CC[C@@H]2N)c3cc c(c(c3)OC)OC; O(c1c(OC)cc(cc1)N3CCC(N)C( c2cccc(c2)C)C3)C; COc1ccc(cc1OC)N2CC[CH] (N)[CH](C2)c3cccc(C)c3; Cc1cccc(c1)C2CN( CCC2N)c3ccc(c(c3)OC)OC; COc1ccc(cc1OC)N2 CC[C@H](N)[C@@H](C2)c3cccc(C)c3 |
(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE |
| 22486 | GVC DB07852 ZINC000000168598 |
2 | C10 H7 Cl2 N3 O2 | InChI=1S/C10H7Cl2N3O2/c1- 5-13-9(10(16)17)14-15(5)8 -3-6(11)2-7(12)4-8/h2-4H, 1H3,(H,16,17); CZTNDZALWLHXBA-UHFFFAOYSA-N |
Cc1nc(nn1c2cc(Cl)cc(Cl)c2)C(O)=O; Cc1nc( nn1c2cc(cc(c2)Cl)Cl)C(=O)O; Clc2cc(Cl)cc (n1nc(nc1C)C(=O)O)c2 |
1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID |
| 22487 | GVD | 7 | C22 H19 N7 | InChI=1S/C22H19N7/c23-12- 11-14-5-9-16(10-6-14)24-2 2-25-18-4-2-1-3-17(18)21( 27-22)26-20-13-19(28-29-2 0)15-7-8-15/h1-6,9-10,13- 15H,7-8,11H2,(H2,25,26,27 ,28,29)/b24-16-/t14-/m0/s 1; AWMNWCNUTIFHRJ-SZLGDNHQSA-N |
c1ccc2c(c1)c(nc(n2)N=C3C=CC(C=C3)CC#N)Nc 4cc([nH]n4)C5CC5; N#CCC1C=CC(C=C1)=Nc2nc (Nc3cc([nH]n3)C4CC4)c5ccccc5n2; N#CCC5C= C\C(=N/c2nc1c(cccc1)c(n2)Nc3nnc(c3)C4CC4 )C=C5 |
[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE |
| 22488 | GVE ZINC000002019854 |
16 | C5 H11 N O2 | InChI=1S/C5H11NO2/c1-8-5( 7)3-2-4-6/h2-4,6H2,1H3; KVQGGLZHHFGHPU-UHFFFAOYSA-N |
COC(=O)CCCN; O=C(OC)CCCN | METHYL 4-AMINOBUTANOATE |
| 22489 | GVF CHEMBL595349 ZINC000016052552 |
1 | C6 H10 O16 P4 | InChI=1S/C6H10O16P4/c7-23 (8,9)19-3-1-2-4(20-24(10, 11)12)6(22-26(16,17)18)5( 3)21-25(13,14)15/h1-2H,(H 2,7,8,9)(H2,10,11,12)(H2, 13,14,15)(H2,16,17,18); UKRGHRHHBNLNDD-UHFFFAOYSA-N |
O=P(Oc1c(OP(=O)(O)O)ccc(OP(=O)(O)O)c1OP( =O)(O)O)(O)O; O[P](O)(=O)Oc1ccc(O[P](O)( O)=O)c(O[P](O)(O)=O)c1O[P](O)(O)=O; c1cc (c(c(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O) OP(=O)(O)O |
BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)] |
| 22490 | GVG CHEMBL228114 ZINC000004692749 |
4 | C10 H10 N2 | InChI=1S/C10H10N2/c1-8-10 (7-11-12-8)9-5-3-2-4-6-9/ h2-7H,1H3,(H,11,12); XTXZCNATVCIKTR-UHFFFAOYSA-N |
Cc1c(c[nH]n1)c2ccccc2; Cc1n[nH]cc1c2cccc c2; n2c(c(c1ccccc1)cn2)C |
3-METHYL-4-PHENYL-1H-PYRAZOLE |
| 22491 | GVH CHEMBL389685 ZINC000015442276 |
9 | C7 H6 N2 | InChI=1S/C7H6N2/c1-2-6-3- 5-9-7(6)8-4-1/h1-5H,(H,8, 9); MVXVYAKCVDQRLW-UHFFFAOYSA-N |
c1cc2cc[nH]c2nc1; [nH]1ccc2cccnc12; n1cc cc2c1ncc2 |
1H-PYRROLO[2,3-B]PYRIDINE |
| 22492 | GVI CHEMBL376388 DB07854 ZINC000016052553 |
1 | C13 H13 N5 | InChI=1S/C13H13N5/c1-14-6 -9-2-4-10(5-3-9)11-12-13( 17-7-15-11)18-8-16-12/h2- 5,7-8,14H,6H2,1H3,(H,15,1 6,17,18); VRGSDHJXBVCQEL-UHFFFAOYSA-N |
CNCc1ccc(cc1)c2ncnc3[nH]cnc23; CNCc1ccc( cc1)c2c3c([nH]cn3)ncn2; n1c(c2ncnc2nc1)c 3ccc(cc3)CNC |
N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE |
| 22493 | GVJ DB07855 ZINC000014961021 |
1 | C18 H15 N5 | InChI=1S/C18H15N5/c19-15( 12-4-2-1-3-5-12)13-6-8-14 (9-7-13)16-17-18(22-10-20 -16)23-11-21-17/h1-11,15H ,19H2,(H,20,21,22,23)/t15 -/m0/s1; CWHMAWBXRCDOEB-HNNXBMFYSA-N |
n1c(c2ncnc2nc1)c3ccc(cc3)C(c4ccccc4)N; c 1ccc(cc1)C(c2ccc(cc2)c3c4c([nH]cn4)ncn3) N; c1ccc(cc1)[C@@H](c2ccc(cc2)c3c4c([nH] cn4)ncn3)N; N[C@@H](c1ccccc1)c2ccc(cc2)c 3ncnc4[nH]cnc34; N[CH](c1ccccc1)c2ccc(cc 2)c3ncnc4[nH]cnc34 |
(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE |
| 22494 | GVK CHEMBL228133 DB07856 ZINC000014961053 |
1 | C22 H20 Cl N5 | InChI=1S/C22H20ClN5/c23-1 8-7-5-17(6-8-18)22(9-11-2 4-12-10-22)16-3-1-15(2-4- 16)19-20-21(27-13-25-19)2 8-14-26-20/h1-8,13-14,24H ,9-12H2,(H,25,26,27,28); HPWBHQIUIBFTQC-UHFFFAOYSA-N |
c1cc(ccc1c2c3c([nH]cn3)ncn2)C4(CCNCC4)c5 ccc(cc5)Cl; Clc1ccc(cc1)C2(CCNCC2)c3ccc( cc3)c4ncnc5[nH]cnc45; Clc1ccc(cc1)C5(c4c cc(c3ncnc2c3ncn2)cc4)CCNCC5 |
6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE |
| 22495 | GVL ZINC000064417423 |
0 | C9 H19 N2 O8 P | InChI=1S/C9H19N2O8P/c1-9( 2,6(12)7(11)13)4-19-20(16 ,17)18-3-5(10)8(14)15/h5- 6,12H,3-4,10H2,1-2H3,(H2, 11,13)(H,14,15)(H,16,17)/ t5-,6-/m0/s1; YQHAEUQRUHFKLT-WDSKDSINSA-N |
CC(C)(CO[P](O)(=O)OC[CH](N)C(O)=O)[CH](O )C(N)=O; O=C(N)C(O)C(COP(=O)(OCC(N)C(=O) O)O)(C)C; CC(C)(CO[P@](O)(=O)OC[C@H](N)C (O)=O)[C@@H](O)C(N)=O; CC(C)(COP(=O)(O)O CC(C(=O)O)N)C(C(=O)N)O; CC(C)(CO[P@@](=O )(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)N)O |
O-[(R)-{[(3R)-4-AMINO-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL]OXY}(HYDROXY)PHOSPHORYL]-L-SERINE |
| 22496 | GVM CHEMBL1160887 ZINC000003651306 |
2 | C8 H16 O3 | InChI=1S/C8H16O3/c1-8(2,3 )5-6(9)4-7(10)11/h6,9H,4- 5H2,1-3H3,(H,10,11)/t6-/m 0/s1; PHACRADGRHURFF-LURJTMIESA-N |
CC(C)(C)CC(CC(=O)O)O; CC(C)(C)C[CH](O)CC (O)=O; CC(C)(C)C[C@@H](O)CC(O)=O; CC(C)( C)C[C@H](CC(=O)O)O; O=C(O)CC(O)CC(C)(C)C |
(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACID |
| 22497 | GVN CHEMBL227924 DB07857 ZINC000014960996 |
1 | C17 H16 Cl N3 | InChI=1S/C17H16ClN3/c18-1 6-7-5-14(6-8-16)17(9-19)1 3-3-1-12(2-4-13)15-10-20- 21-11-15/h1-8,10-11,17H,9 ,19H2,(H,20,21)/t17-/m1/s 1; HWVGILTYGZFGLR-QGZVFWFLSA-N |
NC[C@@H](c1ccc(Cl)cc1)c2ccc(cc2)c3c[nH]n c3; c1cc(ccc1c2c[nH]nc2)C(CN)c3ccc(cc3)C l; Clc1ccc(cc1)C(c3ccc(c2cnnc2)cc3)CN; c 1cc(ccc1c2c[nH]nc2)[C@@H](CN)c3ccc(cc3)C l; NC[CH](c1ccc(Cl)cc1)c2ccc(cc2)c3c[nH] nc3 |
(2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE |
| 22498 | GVO CHEMBL223339 DB07858 ZINC000014960999 |
1 | C17 H16 Cl N3 | InChI=1S/C17H16ClN3/c18-1 6-7-5-14(6-8-16)17(9-19)1 3-3-1-12(2-4-13)15-10-20- 21-11-15/h1-8,10-11,17H,9 ,19H2,(H,20,21)/t17-/m0/s 1; HWVGILTYGZFGLR-KRWDZBQOSA-N |
NC[C@H](c1ccc(Cl)cc1)c2ccc(cc2)c3c[nH]nc 3; c1cc(ccc1c2c[nH]nc2)C(CN)c3ccc(cc3)Cl ; Clc1ccc(cc1)C(c3ccc(c2cnnc2)cc3)CN; c1 cc(ccc1c2c[nH]nc2)[C@H](CN)c3ccc(cc3)Cl; NC[CH](c1ccc(Cl)cc1)c2ccc(cc2)c3c[nH]nc 3 |
(2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE |
| 22499 | GVP CHEMBL428462 DB07859 ZINC000014961002 |
2 | C20 H20 Cl N3 | InChI=1S/C20H20ClN3/c21-1 9-7-5-18(6-8-19)20(9-11-2 2-12-10-20)17-3-1-15(2-4- 17)16-13-23-24-14-16/h1-8 ,13-14,22H,9-12H2,(H,23,2 4); LZMOSYUFVYJEPY-UHFFFAOYSA-N |
Clc1ccc(cc1)C4(c3ccc(c2cnnc2)cc3)CCNCC4; c1cc(ccc1c2c[nH]nc2)C3(CCNCC3)c4ccc(cc4 )Cl; Clc1ccc(cc1)C2(CCNCC2)c3ccc(cc3)c4c [nH]nc4 |
4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE |
| 22500 | GVQ DB07860 ZINC000002576552 |
1 | C14 H14 Cl N | InChI=1S/C14H14ClN/c15-13 -8-6-12(7-9-13)14(10-16)1 1-4-2-1-3-5-11/h1-9,14H,1 0,16H2/t14-/m1/s1; PNKKPFLBOWGVSF-CQSZACIVSA-N |
NC[CH](c1ccccc1)c2ccc(Cl)cc2; c1ccc(cc1) [C@@H](CN)c2ccc(cc2)Cl; NC[C@H](c1ccccc1 )c2ccc(Cl)cc2; Clc1ccc(cc1)C(c2ccccc2)CN ; c1ccc(cc1)C(CN)c2ccc(cc2)Cl |
(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE |
| 22501 | GVR CHEMBL261713 DB07861 ZINC000000594749 |
5 | C23 H20 N2 O4 S | InChI=1S/C23H20N2O4S/c26- 23(24-27)22(14-16-9-10-17 -5-1-3-7-19(17)13-16)25-3 0(28,29)21-12-11-18-6-2-4 -8-20(18)15-21/h1-13,15,2 2,25,27H,14H2,(H,24,26)/t 22-/m1/s1; MMOUXLMPQFMDRD-JOCHJYFZSA-N |
c1ccc2cc(ccc2c1)C[C@H](C(=O)NO)NS(=O)(=O )c3ccc4ccccc4c3; ONC(=O)[C@@H](Cc1ccc2cc ccc2c1)N[S](=O)(=O)c3ccc4ccccc4c3; c1ccc 2cc(ccc2c1)CC(C(=O)NO)NS(=O)(=O)c3ccc4cc ccc4c3; ONC(=O)[CH](Cc1ccc2ccccc2c1)N[S] (=O)(=O)c3ccc4ccccc4c3; O=S(=O)(c2cc1ccc cc1cc2)NC(C(=O)NO)Cc4ccc3c(cccc3)c4 |
(2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide |
| 22502 | GVS ZINC000058650720 |
2 | C17 H22 N4 O6 S | InChI=1S/C17H22N4O6S/c1-2 -27-14(22)8-17(10-26-11-1 7)21-9-12(15(18)20-16(21) 23)4-3-7-19-28(24,25)13-5 -6-13/h9,13,19H,2,5-8,10- 11H2,1H3,(H2,18,20,23); MIAWQMZUJQYSPX-UHFFFAOYSA-N |
CCOC(=O)CC1(COC1)N2C=C(C(=NC2=O)N)C#CCNS (=O)(=O)C3CC3; O=S(=O)(NCC#CC=1C(=NC(=O) N(C=1)C2(COC2)CC(=O)OCC)N)C3CC3; CCOC(=O )CC1(COC1)N2C=C(C#CCN[S](=O)(=O)C3CC3)C( =NC2=O)N |
ethyl {3-[4-amino-5-{3-[(cyclopropylsulfonyl)amino]prop-1-yn-1-yl}-2-oxopyrimidin-1(2H)-yl]oxetan-3-yl}acetate |
| 22503 | GVT | 0 | C28 H58 O10 | InChI=1S/C28H58O10/c1-2-3 -4-5-6-7-8-9-11-30-13-15- 32-17-19-34-21-23-36-25-2 7-38-28-26-37-24-22-35-20 -18-33-16-14-31-12-10-29/ h29H,2-28H2,1H3; MEPDRUVBZDYVEU-UHFFFAOYSA-N |
CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO; O(CCOCCOCCO)CCOCCOCCOCCOCCOCCOCCCCCCCCCC |
3,6,9,12,15,18,21,24,27-nonaoxaheptatriacontan-1-ol |
| 22504 | GVU CHEMBL332724 ZINC000169320508 |
1 | C36 H52 O11 | InChI=1S/C36H52O11/c1-6-7 -19-35(47-34(44)17-16-32( 40)41)21-22-36(46-30(35)1 4-10-25(3)23-33(42)43)20- 18-27(5)29(45-36)13-9-24( 2)8-12-28(37)26(4)11-15-3 1(38)39/h8-12,14-15,23,26 -30,37H,6-7,13,16-22H2,1- 5H3,(H,38,39)(H,40,41)(H, 42,43)/b12-8+,14-10+,15-1 1+,24-9+,25-23+/t26-,27-, 28-,29+,30-,35+,36-/m0/s1; ZESGNAJSBDILTB-OXVOKJAASA-N |
CCCC[C]1(CC[C]2(CC[CH](C)[CH](CC=C(C)C=C [CH](O)[CH](C)C=CC(O)=O)O2)O[CH]1C=CC(C) =CC(O)=O)OC(=O)CCC(O)=O; CCCCC1(CCC2(CCC (C(O2)CC=C(C)C=CC(C(C)C=CC(=O)O)O)C)OC1C =CC(=CC(=O)O)C)OC(=O)CCC(=O)O; CCCC[C@]1 (CC[C@]2(CC[C@@H]([C@H](O2)C/C=C(\C)/C=C /[C@@H]([C@@H](C)/C=C/C(=O)O)O)C)O[C@H]1 /C=C/C(=C/C(=O)O)/C)OC(=O)CCC(=O)O; CCCC [C@]1(CC[C@]2(CC[C@H](C)[C@@H](C\C=C(C)\ C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O2)O[C@ H]1\C=C\C(C)=C\C(O)=O)OC(=O)CCC(O)=O |
(2E,4S,5S,6E,8E)-10-[(2S,3R,6S,8R,9S)-3-butyl-9-methyl-2-[(1E,3E)-3-methyl-5-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-3-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-1,7-dioxaspiro[5.5]undecan-8-yl]-4,8-dimethyl-5-oxidanyl-deca-2,6,8-trienoic acid |
| 22505 | GVV ZINC000001017099 |
6 | C10 H13 N O2 | InChI=1S/C10H13NO2/c1-3-1 0(13)11-8-5-4-7(2)6-9(8)1 2/h4-6,12H,3H2,1-2H3,(H,1 1,13); VFXXPGGIPBIYCC-UHFFFAOYSA-N |
CCC(=O)Nc1ccc(C)cc1O; CCC(=O)Nc1ccc(cc1O )C |
~{N}-(4-methyl-2-oxidanyl-phenyl)propanamide |
| 22506 | GVW | 6 | C35 H56 N4 O7 | InChI=1S/C35H56N4O7/c1-23 (36-31(40)22-39-15-17-46- 18-16-39)33(42)38-30(20-2 4-10-13-28(45-4)14-11-24) 34(43)37-29(32(41)35(2,3) 44)21-25-9-12-26-7-5-6-8- 27(26)19-25/h10-11,13-14, 23,25-27,29-30,32,41,44H, 5-9,12,15-22H2,1-4H3,(H,3 6,40)(H,37,43)(H,38,42)/t 23-,25-,26-,27-,29-,30-,3 2+/m0/s1; QCNGAIZJUVCKLV-HUNVPQJGSA-N |
C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O) N[C@@H](CC2CC[C@@H]3CCCC[C@H]3C2)[C@H](C (C)(C)O)O)NC(=O)CN4CCOCC4; COc1ccc(C[C@H ](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C @@H](C[C@H]3CC[C@@H]4CCCC[C@H]4C3)[C@@H] (O)C(C)(C)O)cc1; CC(C(=O)NC(Cc1ccc(cc1)O C)C(=O)NC(CC2CCC3CCCCC3C2)C(C(C)(C)O)O)N C(=O)CN4CCOCC4; COc1ccc(C[CH](NC(=O)[CH] (C)NC(=O)CN2CCOCC2)C(=O)N[CH](C[CH]3CC[C H]4CCCC[CH]4C3)[CH](O)C(C)(C)O)cc1 |
(2~{S})-~{N}-[(2~{S},3~{R})-1-[(4~{a}~{S},8~{a}~{S})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-2-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide |
| 22507 | GVX CHEMBL3527413 ZINC000199809713 |
12 | C19 H26 N4 O6 S2 | InChI=1S/C19H26N4O6S2/c20 -13(18(28)29)6-7-15(24)23 -14(17(27)22-10-16(25)26) 11-31-19(30)21-9-8-12-4-2 -1-3-5-12/h1-5,13-14H,6-1 1,20H2,(H,21,30)(H,22,27) (H,23,24)(H,25,26)(H,28,2 9)/t13-,14-/m0/s1; WSGBVCNCZSZCGE-KBPBESRZSA-N |
c1ccc(cc1)CCNC(=S)SCC(C(=O)NCC(=O)O)NC(= O)CCC(C(=O)O)N; N[CH](CCC(=O)N[CH](CSC(= S)NCCc1ccccc1)C(=O)NCC(O)=O)C(O)=O; OC(C (CCC(=O)NC(C(=O)NCC(O)=O)CSC(=S)NCCc1ccc cc1)N)=O; N[C@@H](CCC(=O)N[C@@H](CSC(=S) NCCc1ccccc1)C(=O)NCC(O)=O)C(O)=O; c1ccc( cc1)CCNC(=S)SC[C@@H](C(=O)NCC(=O)O)NC(=O )CC[C@@H](C(=O)O)N |
L-gamma-glutamyl-S-[(2-phenylethyl)carbamothioyl]-L-cysteinylglycine |
| 22508 | GVY CHEMBL4471826 ZINC000000530971 |
5 | C8 H7 N3 O S | InChI=1S/C8H7N3OS/c9-8-11 -10-7(13-8)5-1-3-6(12)4-2 -5/h1-4,12H,(H2,9,11); ZLHDTOUWXDZDGO-UHFFFAOYSA-N |
Nc1sc(nn1)c2ccc(O)cc2; n2c(c1ccc(cc1)O)s c(N)n2; c1cc(ccc1c2nnc(s2)N)O |
4-(5-amino-1,3,4-thiadiazol-2-yl)phenol |
| 22509 | GVZ | 2 | C35 H56 N4 O7 | InChI=1S/C35H56N4O7/c1-23 (36-31(40)22-39-16-18-46- 19-17-39)33(42)38-30(20-2 4-12-14-27(45-4)15-13-24) 34(43)37-29(32(41)35(2,3) 44)21-26-10-7-9-25-8-5-6- 11-28(25)26/h12-15,23,25- 26,28-30,32,41,44H,5-11,1 6-22H2,1-4H3,(H,36,40)(H, 37,43)(H,38,42)/t23-,25-, 26-,28+,29-,30-,32+/m0/s1; CLFQUACBTNEXIX-XLKYJUFASA-N |
CC(C(=O)NC(Cc1ccc(cc1)OC)C(=O)NC(CC2CCCC 3C2CCCC3)C(C(C)(C)O)O)NC(=O)CN4CCOCC4; C Oc1ccc(C[CH](NC(=O)[CH](C)NC(=O)CN2CCOCC 2)C(=O)N[CH](C[CH]3CCC[CH]4CCCC[CH]34)[C H](O)C(C)(C)O)cc1; C[C@@H](C(=O)N[C@@H]( Cc1ccc(cc1)OC)C(=O)N[C@@H](C[C@@H]2CCC[C @H]3[C@H]2CCCC3)[C@H](C(C)(C)O)O)NC(=O)C N4CCOCC4; COc1ccc(C[C@H](NC(=O)[C@H](C)N C(=O)CN2CCOCC2)C(=O)N[C@@H](C[C@@H]3CCC[ C@@H]4CCCC[C@@H]34)[C@@H](O)C(C)(C)O)cc1 |
(2~{S})-~{N}-[(2~{S},3~{R})-1-[(1~{S},4~{a}~{S},8~{a}~{R})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide |
| 22510 | GW0 CHEMBL38508 ZINC000008022594 |
1 | C21 H17 F4 N O3 S2 | InChI=1S/C21H17F4NO3S2/c1 -11-7-14(4-6-17(11)29-9-1 9(27)28)30-10-18-12(2)26- 20(31-18)13-3-5-15(16(22) 8-13)21(23,24)25/h3-8H,9- 10H2,1-2H3,(H,27,28); HWVNEWGKWRGSRK-UHFFFAOYSA-N |
Cc1cc(SCc2sc(nc2C)c3ccc(c(F)c3)C(F)(F)F) ccc1OCC(O)=O; Cc1cc(ccc1OCC(=O)O)SCc2c(n c(s2)c3ccc(c(c3)F)C(F)(F)F)C; O=C(O)COc3 c(cc(SCc1sc(nc1C)c2cc(F)c(cc2)C(F)(F)F)c c3)C |
{4-[({2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid; GW 0742 |
| 22511 | GW1 CHEMBL1347703 ZINC000000355961 |
4 | C10 H14 Cl N3 O | InChI=1S/C10H14ClN3O/c1-1 3-9(8(11)7-12-13)10(15)14 -5-3-2-4-6-14/h7H,2-6H2,1 H3; KRGQOKCRZMRVRH-UHFFFAOYSA-N |
Cn1c(c(cn1)Cl)C(=O)N2CCCCC2; Cn1ncc(Cl)c 1C(=O)N2CCCCC2 |
(4-chloranyl-2-methyl-pyrazol-3-yl)-piperidin-1-yl-methanone |
| 22512 | GW2 | 2 | C35 H56 N4 O7 | InChI=1S/C35H56N4O7/c1-23 (22-40)33(42)30(20-27-9-6 -8-26-7-4-5-10-29(26)27)3 7-35(44)31(19-25-11-13-28 (45-3)14-12-25)38-34(43)2 4(2)36-32(41)21-39-15-17- 46-18-16-39/h11-14,23-24, 26-27,29-31,33,40,42H,4-1 0,15-22H2,1-3H3,(H,36,41) (H,37,44)(H,38,43)/t23-,2 4+,26+,27+,29-,30+,31+,33 +/m1/s1; UCGLTFMSOJQUDT-YLXJCCLLSA-N |
COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CC OCC2)C(=O)N[C@@H](C[C@@H]3CCC[C@@H]4CCCC [C@@H]34)[C@@H](O)[C@H](C)CO)cc1; CC(CO) C(C(CC1CCCC2C1CCCC2)NC(=O)C(Cc3ccc(cc3)O C)NC(=O)C(C)NC(=O)CN4CCOCC4)O; C[C@H](CO )[C@@H]([C@H](C[C@@H]1CCC[C@H]2[C@H]1CCC C2)NC(=O)[C@H](Cc3ccc(cc3)OC)NC(=O)[C@H] (C)NC(=O)CN4CCOCC4)O; COc1ccc(C[CH](NC(= O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N[CH](C[CH ]3CCC[CH]4CCCC[CH]34)[CH](O)[CH](C)CO)cc 1 |
(2~{S})-~{N}-[(2~{S},3~{S},4~{R})-1-[(1~{S},4~{a}~{S},8~{a}~{R})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-1-yl]-4-methyl-3,5-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide |
| 22513 | GW3 CHEMBL318721 DB07862 ZINC000000015885 |
2 | C15 H19 N5 | InChI=1S/C15H19N5/c1-3-9( 4-2)20-8-7-10-12(20)6-5-1 1-13(10)14(16)19-15(17)18 -11/h5-9H,3-4H2,1-2H3,(H4 ,16,17,18,19); GCPJCLJGTVTGRF-UHFFFAOYSA-N |
n3c2ccc1c(ccn1C(CC)CC)c2c(nc3N)N; CCC(CC )n1ccc2c1ccc3nc(N)nc(N)c23; CCC(CC)n1ccc 2c1ccc3c2c(nc(n3)N)N |
7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE; GW345 |
| 22514 | GW4 CHEMBL230259 ZINC000016052390 |
1 | C36 H35 N3 O4 | InChI=1S/C36H35N3O4/c1-25 -33(39-36(43-25)29-13-7-4 -8-14-29)21-22-42-31-19-1 7-27(18-20-31)23-30(24-37 -26(2)40)38-34-16-10-9-15 -32(34)35(41)28-11-5-3-6- 12-28/h3-20,30,38H,21-24H 2,1-2H3,(H,37,40)/t30-/m0 /s1; WCJXONGEWJNZQV-PMERELPUSA-N |
Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)CC(CNC( =O)C)Nc4ccccc4C(=O)c5ccccc5; CC(=O)NC[CH ](Cc1ccc(OCCc2nc(oc2C)c3ccccc3)cc1)Nc4cc ccc4C(=O)c5ccccc5; Cc1c(nc(o1)c2ccccc2)C COc3ccc(cc3)C[C@@H](CNC(=O)C)Nc4ccccc4C( =O)c5ccccc5; O=C(c1ccccc1)c2ccccc2NC(CNC (=O)C)Cc5ccc(OCCc3nc(oc3C)c4ccccc4)cc5; CC(=O)NC[C@H](Cc1ccc(OCCc2nc(oc2C)c3cccc c3)cc1)Nc4ccccc4C(=O)c5ccccc5 |
N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE |
| 22515 | GW5 CHEMBL33899 |
5 | C25 H22 O2 | InChI=1S/C25H22O2/c1-2-23 (20-9-5-3-6-10-20)25(21-1 1-7-4-8-12-21)22-16-13-19 (14-17-22)15-18-24(26)27/ h3-18H,2H2,1H3,(H,26,27)/ b18-15+,25-23-; HJQQVNIORAQATK-DDJBQNAASA-N |
CC/C(=C(\c1ccccc1)/c2ccc(cc2)/C=C/C(=O)O )/c3ccccc3; CCC(c1ccccc1)=C(c2ccccc2)c3c cc(C=CC(O)=O)cc3; CCC(/c1ccccc1)=C(\c2cc ccc2)c3ccc(\C=C\C(O)=O)cc3; O=C(O)\C=C\c 3ccc(\C(=C(/c1ccccc1)CC)c2ccccc2)cc3; CC C(=C(c1ccccc1)c2ccc(cc2)C=CC(=O)O)c3cccc c3 |
(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID; GW5638; DPC 974 |
| 22516 | GW6 CHEMBL1676 DB08906 ZINC000003992105 |
4 | C27 H29 F3 O6 S | InChI=1S/C27H29F3O6S/c1-1 4-9-16-17-11-19(29)18-10- 15(31)6-7-24(18,2)26(17,3 0)21(32)12-25(16,3)27(14, 23(34)37-13-28)36-22(33)2 0-5-4-8-35-20/h4-8,10,14, 16-17,19,21,32H,9,11-13H2 ,1-3H3/t14-,16+,17+,19+,2 1+,24+,25+,26+,27+/m1/s1; XTULMSXFIHGYFS-VLSRWLAYSA-N |
O=C(SCF)C5(OC(=O)c1occc1)C4(C)CC(O)C3(F) C2(C=CC(=O)C=C2C(F)CC3C4CC5C)C; C[CH]1C[ CH]2[CH]3C[CH](F)C4=CC(=O)C=C[C]4(C)[C]3 (F)[CH](O)C[C]2(C)[C]1(OC(=O)c5occc5)C(= O)SCF; C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4= CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@] 1(C(=O)SCF)OC(=O)c5ccco5)C)O)F)C)F; CC1C C2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)S CF)OC(=O)c5ccco5)C)O)F)C)F; C[C@@H]1C[C@ H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[ C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c 5occc5)C(=O)SCF |
(6alpha,11alpha,14beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoan drosta-1,4-dien-17-yl furan-2-carboxylate; Fluticasone furoate |
| 22517 | GW7 ZINC000038969783 |
2 | C21 H17 Cl F N3 O S | InChI=1S/C21H17ClFN3OS/c1 -2-16-10-18-20(28-16)21(2 5-12-24-18)26-15-6-7-19(1 7(22)9-15)27-11-13-4-3-5- 14(23)8-13/h3-10,12H,2,11 H2,1H3,(H,24,25,26); ABWPTSQSOHEFDW-UHFFFAOYSA-N |
CCc1cc2c(s1)c(ncn2)Nc3ccc(c(c3)Cl)OCc4cc cc(c4)F; CCc1sc2c(Nc3ccc(OCc4cccc(F)c4)c (Cl)c3)ncnc2c1; Fc1cccc(c1)COc2ccc(cc2Cl )Nc4ncnc3c4sc(c3)CC |
N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-ethylthieno[3,2-d]pyrimidin-4-amine |
| 22518 | GW8 ZINC000098208973 |
2 | C32 H36 N8 O4 S | InChI=1S/C32H36N8O4S/c1-3 8-17-19-40(20-18-38)30(41 )24-5-4-6-27(21-24)36-32( 42)35-26-11-13-28(14-12-2 6)39(2)29-15-16-33-31(37- 29)34-25-9-7-23(8-10-25)2 2-45(3,43)44/h4-16,21H,17 -20,22H2,1-3H3,(H,33,34,3 7)(H2,35,36,42); HKWWFBIVSCKLOB-UHFFFAOYSA-N |
CN1CCN(CC1)C(=O)c2cccc(NC(=O)Nc3ccc(cc3) N(C)c4ccnc(Nc5ccc(C[S](C)(=O)=O)cc5)n4)c 2; O=C(N1CCN(C)CC1)c5cccc(NC(=O)Nc4ccc(N (c2nc(ncc2)Nc3ccc(cc3)CS(=O)(=O)C)C)cc4) c5; CN1CCN(CC1)C(=O)c2cccc(c2)NC(=O)Nc3c cc(cc3)N(C)c4ccnc(n4)Nc5ccc(cc5)CS(=O)(= O)C |
1-(4-{methyl[2-({4-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]amino}phenyl)-3-{3-[(4-methylpiperazin-1-yl)carbonyl]phenyl}urea; GW830263A |
| 22519 | GW9 CHEMBL375270 DB07863 ZINC000000039173 |
36 | C13 H9 Cl N2 O3 | InChI=1S/C13H9ClN2O3/c14- 12-7-6-10(16(18)19)8-11(1 2)13(17)15-9-4-2-1-3-5-9/ h1-8H,(H,15,17); DNTSIBUQMRRYIU-UHFFFAOYSA-N |
[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2ccccc2 ; c1ccc(cc1)NC(=O)c2cc(ccc2Cl)[N+](=O)[O -]; O=C(c1cc(ccc1Cl)[N+]([O-])=O)Nc2cccc c2 |
2-chloro-5-nitro-N-phenylbenzamide |
| 22520 | GWA ZINC000000860450 |
7 | C11 H14 N2 O3 | InChI=1S/C11H14N2O3/c1-8( 14)12-9-4-3-5-10(6-9)13-1 1(15)7-16-2/h3-6H,7H2,1-2 H3,(H,12,14)(H,13,15); ZDALGCTWWSVNDR-UHFFFAOYSA-N |
COCC(=O)Nc1cccc(NC(C)=O)c1; CC(=O)Nc1ccc c(c1)NC(=O)COC |
~{N}-(3-acetamidophenyl)-2-methoxy-ethanamide |
| 22521 | GWB CHEMBL365845 DB07864 ZINC000000027029 |
1 | C17 H16 F N O2 | InChI=1S/C17H16FNO2/c1-10 (2)15-16(21-8-7-11-3-4-11 )13-9-12(18)5-6-14(13)19- 17(15)20/h5-6,9-11H,3-4H2 ,1-2H3,(H,19,20); YVJFHKQYMKKIHK-UHFFFAOYSA-N |
CC(C)C1=C(c2cc(ccc2NC1=O)F)OC#CC3CC3; CC (C)C1=C(OC#CC2CC2)c3cc(F)ccc3NC1=O; Fc3c cc2c(C(OC#CC1CC1)=C(C(=O)N2)C(C)C)c3 |
4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-3-ISOPROPYLQUINOLIN-2(1H)-ONE |
| 22522 | GWC | 2 | C16 H13 Cl F N3 O | InChI=1S/C16H13ClFN3O/c1- 21(10-6-8-11(22-2)9-7-10) 15-14-12(18)4-3-5-13(14)1 9-16(17)20-15/h3-9H,1-2H3; RBKSQTIPGBFFEK-UHFFFAOYSA-N |
CN(c1ccc(cc1)OC)c2c3c(cccc3F)nc(n2)Cl; C Oc1ccc(cc1)N(C)c2nc(Cl)nc3cccc(F)c23 |
2-chloranyl-5-fluoranyl-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine |
| 22523 | GWD CHEMBL264949 ZINC000003874852 |
6 | C15 H8 Br2 I N O2 | InChI=1S/C15H8Br2INO2/c16 -11-4-7(5-12(17)14(11)20) 3-10-9-6-8(18)1-2-13(9)19 -15(10)21/h1-6,20H,(H,19, 21)/b10-3+; LMXYVLFTZRPNRV-XCVCLJGOSA-N |
c1cc2c(cc1I)/C(=C\c3cc(c(c(c3)Br)O)Br)/C (=O)N2; c1cc2c(cc1I)C(=Cc3cc(c(c(c3)Br)O )Br)C(=O)N2; Brc1cc(cc(Br)c1O)\C=C3/c2cc (I)ccc2NC3=O; Oc1c(Br)cc(cc1Br)C=C2C(=O) Nc3ccc(I)cc23; Oc1c(Br)cc(cc1Br)\C=C/2C( =O)Nc3ccc(I)cc/23 |
(3E)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1,3-dihydro-2H-indol-2-one |
| 22524 | GWE ZINC000103543969 |
3 | C23 H19 Cl F4 N2 O5 S | InChI=1S/C23H19ClF4N2O5S/ c1-12-6-17(36(29,33)34)3- 4-19(12)30-21(31)11-35-20 -5-2-15(24)10-18(20)22(32 )13-7-14(23(26,27)28)9-16 (25)8-13/h2-10,33-34H,11, 29H2,1H3,(H,30,31); RXLXGVALXIAUEE-UHFFFAOYSA-N |
Cc1cc(ccc1NC(=O)COc2ccc(cc2C(=O)c3cc(cc( c3)F)C(F)(F)F)Cl)S(N)(O)O; Cc1cc(ccc1NC( =O)COc2ccc(Cl)cc2C(=O)c3cc(F)cc(c3)C(F)( F)F)[S](N)(O)O; Clc2cc(c(OCC(=O)Nc1ccc(c c1C)S(O)(O)N)cc2)C(=O)c3cc(F)cc(c3)C(F)( F)F |
N-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-(4-chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide |
| 22525 | GWF CHEMBL4298169 DB16343 |
1 | C29 H25 F4 N3 O5 S | InChI=1S/C29H25F4N3O5S/c3 0-21-9-15(27(37)38)10-23- 25(21)34-28(42-23)36-16-7 -8-17(36)12-18(11-16)39-1 3-20-24(35-41-26(20)14-5- 6-14)19-3-1-2-4-22(19)40- 29(31,32)33/h1-4,9-10,14, 16-18H,5-8,11-13H2,(H,37, 38)/t16-,17+,18+; VYLOOGHLKSNNEK-PIIMJCKOSA-N |
OC(=O)c1cc(F)c2nc(sc2c1)N3[C@@H]4CC[C@H] 3C[C@H](C4)OCc5c(onc5c6ccccc6OC(F)(F)F)C 7CC7; c1ccc(c(c1)c2c(c(on2)C3CC3)COC4CC5 CCC(C4)N5c6nc7c(cc(cc7s6)C(=O)O)F)OC(F)( F)F; c1ccc(c(c1)c2c(c(on2)C3CC3)COC4C[C@ H]5CC[C@@H](C4)N5c6nc7c(cc(cc7s6)C(=O)O) F)OC(F)(F)F; OC(=O)c1cc(F)c2nc(sc2c1)N3[ CH]4CC[CH]3C[CH](C4)OCc5c(onc5c6ccccc6OC (F)(F)F)C7CC7 |
Tropifexor |
| 22526 | GWG CHEMBL4554218 ZINC000095348295 |
3 | C9 H9 N3 O | InChI=1S/C9H9N3O/c1-12-7- 5-3-2-4-6(7)8(11-12)9(10) 13/h2-5H,1H3,(H2,10,13); PVROETJHCUDAFG-UHFFFAOYSA-N |
Cn1nc(C(N)=O)c2ccccc12; Cn1c2ccccc2c(n1) C(=O)N |
1-methylindazole-3-carboxamide |
| 22527 | GWH ZINC000103543982 |
1 | C22 H22 F N5 O3 S | InChI=1S/C22H22FN5O3S/c1- 14(19-12-17(23)6-7-20(19) 28-26-8-9-27-28)31-21-11- 16(13-25-22(21)24)15-4-3- 5-18(10-15)32(2,29)30/h3- 14,26-27H,1-2H3,(H2,24,25 )/t14-/m1/s1; CNOPXBIRDNNWIV-CQSZACIVSA-N |
CC(c1cc(ccc1N2NC=CN2)F)Oc3cc(cnc3N)c4ccc c(c4)S(=O)(=O)C; O=S(=O)(c1cccc(c1)c4cc( OC(c2cc(F)ccc2N3NC=CN3)C)c(nc4)N)C; C[C@ @H](Oc1cc(cnc1N)c2cccc(c2)[S](C)(=O)=O)c 3cc(F)ccc3N4NC=CN4; C[C@H](c1cc(ccc1N2NC =CN2)F)Oc3cc(cnc3N)c4cccc(c4)S(=O)(=O)C; C[CH](Oc1cc(cnc1N)c2cccc(c2)[S](C)(=O)= O)c3cc(F)ccc3N4NC=CN4 |
3-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}-5-[3-(methylsulfonyl)phenyl]pyridin-2-amine |
| 22528 | GWI CHEMBL1233182 ZINC000001553543 |
1 | C26 H21 Cl2 N3 O6 S | InChI=1S/C26H21Cl2N3O6S/c 1-3-24(32)31-38(35,36)20- 5-6-22(15(2)8-20)30-25(33 )14-37-23-7-4-18(27)12-21 (23)26(34)17-9-16(13-29)1 0-19(28)11-17/h4-12H,3,14 H2,1-2H3,(H,30,33)(H,31,3 2); GAQZNFUDILDDDI-UHFFFAOYSA-N |
CCC(=O)NS(=O)(=O)c1ccc(c(c1)C)NC(=O)COc2 ccc(cc2C(=O)c3cc(cc(c3)Cl)C#N)Cl; CCC(=O )N[S](=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C (=O)c3cc(Cl)cc(c3)C#N)c(C)c1; N#Cc1cc(cc (Cl)c1)C(=O)c3cc(Cl)ccc3OCC(=O)Nc2ccc(cc 2C)S(=O)(=O)NC(=O)CC |
N-({4-[({4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}acetyl)amino]-3-methylphenyl}sulfonyl)propanamide |
| 22529 | GWJ CHEMBL203420 |
1 | C23 H17 Cl2 N3 O5 S | InChI=1S/C23H17Cl2N3O5S/c 1-13-6-18(34(27,31)32)3-4 -20(13)28-22(29)12-33-21- 5-2-16(24)10-19(21)23(30) 15-7-14(11-26)8-17(25)9-1 5/h2-10H,12H2,1H3,(H,28,2 9)(H2,27,31,32); BTOMIMSUTLPSHA-UHFFFAOYSA-N |
Cc1cc(ccc1NC(=O)COc2ccc(cc2C(=O)c3cc(cc( c3)Cl)C#N)Cl)S(=O)(=O)N; Cc1cc(ccc1NC(=O )COc2ccc(Cl)cc2C(=O)c3cc(Cl)cc(c3)C#N)[S ](N)(=O)=O; N#Cc1cc(cc(Cl)c1)C(=O)c3cc(C l)ccc3OCC(=O)Nc2ccc(cc2C)S(=O)(=O)N |
2-{4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}-N-(2-methyl-4-sulfamoylphenyl)acetamide |
| 22530 | GWK | 4 | C32 H52 N4 O7 | InChI=1S/C32H52N4O7/c1-21 -6-8-23(9-7-21)18-26(29(3 8)32(3,4)41)34-31(40)27(1 9-24-10-12-25(42-5)13-11- 24)35-30(39)22(2)33-28(37 )20-36-14-16-43-17-15-36/ h10-13,21-23,26-27,29,38, 41H,6-9,14-20H2,1-5H3,(H, 33,37)(H,34,40)(H,35,39)/ t21-,22-,23-,26-,27-,29+/ m0/s1; HWARUQIJJWOYQZ-PSFQLAHKSA-N |
COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CC OCC2)C(=O)N[C@@H](C[C@H]3CC[C@H](C)CC3)[ C@@H](O)C(C)(C)O)cc1; CC1CCC(CC1)CC(C(C( C)(C)O)O)NC(=O)C(Cc2ccc(cc2)OC)NC(=O)C(C )NC(=O)CN3CCOCC3; CC1CCC(CC1)C[C@@H]([C@ H](C(C)(C)O)O)NC(=O)[C@H](Cc2ccc(cc2)OC) NC(=O)[C@H](C)NC(=O)CN3CCOCC3; COc1ccc(C [CH](NC(=O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N [CH](C[CH]3CC[CH](C)CC3)[CH](O)C(C)(C)O) cc1 |
(2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-1-(4-methylcyclohexyl)-3,4-bis(oxidanyl)pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide |
| 22531 | GWL | 2 | C18 H25 N5 O3 | InChI=1S/C18H25N5O3/c1-2- 13-16(17(20)23-18(21)22-1 3)26-11-5-10-25-14-7-4-3- 6-12(14)8-9-15(19)24/h3-4 ,6-7H,2,5,8-11H2,1H3,(H2, 19,24)(H4,20,21,22,23); GJKARHOPAGGITP-UHFFFAOYSA-N |
CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)N; CCc1nc(N)nc(N)c1OCCCOc2ccccc2CCC(N)=O; CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(N)=O |
3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanamide |
| 22532 | GWM CHEMBL24164 ZINC000013441017 |
4 | C7 H9 O4 P | InChI=1S/C7H9O4P/c1-6-2-4 -7(5-3-6)11-12(8,9)10/h2- 5H,1H3,(H2,8,9,10); JNUCNIFVQZYOCP-UHFFFAOYSA-N |
Cc1ccc(O[P](O)(O)=O)cc1; Cc1ccc(cc1)OP(= O)(O)O |
(4-methylphenyl) dihydrogen phosphate; phosphoric acid mono-p-tolyl ester |
| 22533 | GWN | 1 | H15 Mo8 O28 | InChI=1S/8Mo.15H2O.13O/h; ;;;;;;;15*1H2;;;;;;;;;;;; ;/q3*+1;3*+2;2*+3;;;;;;;; ;;;;;;;;;;;;;;7*+1/p-15; IZBWZCCEFXYSQI-UHFFFAOYSA-A |
O[Mo]12(O)(O)O[Mo]34(O)(O)O[Mo]567(O)O[M o]89(O)(O)O[Mo]%10(O)(O)(O)[O+]8[Mo]%11% 12(O)(O[Mo]%13(O)(O)([O+]1[Mo](O)(O5)([O +]23)([O+]46)[O+]%11%13)[O+]%10%12)[O+]7 9; O[Mo]12(O[Mo]34([O+]1[Mo]567([O+]2[Mo ]8(O5)([O+]6[Mo]912([O+]8[Mo]5([O+]9[Mo] 6(O5)([O+]1[Mo]([O+]73)(O4)(O6)(O2)O)(O) O)(O)(O)O)O)(O)O)O)(O)O)(O)O |
Mo8 cluster |
| 22534 | GWO | 0 | C19 H23 N O3 | InChI=1S/C19H23NO3/c20-17 (12-15-9-5-2-6-10-15)18(2 1)13-16(19(22)23)11-14-7- 3-1-4-8-14/h1-10,16-18,21 H,11-13,20H2,(H,22,23)/t1 6-,17+,18-/m1/s1; FXTZKZFWIYSHRP-FGTMMUONSA-N |
c1ccc(cc1)CC(CC(C(Cc2ccccc2)N)O)C(=O)O; N[C@@H](Cc1ccccc1)[C@H](O)C[C@@H](Cc2ccc cc2)C(O)=O; N[CH](Cc1ccccc1)[CH](O)C[CH] (Cc2ccccc2)C(O)=O; c1ccc(cc1)C[C@H](C[C@ H]([C@H](Cc2ccccc2)N)O)C(=O)O |
(2R,4R,5S)-5-azanyl-4-oxidanyl-6-phenyl-2-(phenylmethyl)hexanoic acid |
| 22535 | GWP ZINC000074942043 |
4 | C7 H9 N3 O | InChI=1S/C7H9N3O/c8-6(11) 5-3-9-7(10-5)4-1-2-4/h3-4 H,1-2H2,(H2,8,11)(H,9,10); ZIJDZTAYMWKMQH-UHFFFAOYSA-N |
NC(=O)c1c[nH]c(n1)C2CC2; c1c(nc([nH]1)C2 CC2)C(=O)N |
2-cyclopropyl-1~{H}-imidazole-4-carboxamide |
| 22536 | GWQ | 0 | C43 H25 N9 Ru | InChI=1S/C19H9N5.2C12H8N2 .Ru/c20-10-11-5-6-14-15(9 -11)24-19-13-4-2-8-22-17( 13)16-12(18(19)23-14)3-1- 7-21-16;2*1-3-9-5-6-10-4- 2-8-14-12(10)11(9)13-7-1; /h1-9H;2*1-8H;/q;;;+2; BPUYGOQCFHGENR-UHFFFAOYSA-N |
N#Cc1ccc2nc3c4ccc[n+]5c4c6c(ccc[n+]6[Ru- 4]578([n+]9cccc%10ccc%11ccc[n+]7c%11c9%1 0)[n+]%12cccc%13ccc%14ccc[n+]8c%14c%12%1 3)c3nc2c1; c1cc2ccc3ccc[n+]4c3c2[n+](c1) [Ru-4]456([n+]7cccc8c7c9[n+]5cccc9cc8)[n +]1cccc2c1c1[n+]6cccc1c1c2nc2ccc(cc2n1)C #N |
Ruthenium (bis-(phenanthroline)) (11-cyano-dipyridophenazine) |
| 22537 | GWR CHEMBL4546097 |
8 | C22 H20 Cl2 N4 O4 | InChI=1S/C22H20Cl2N4O4/c1 -26-19-18(20(30)27(22(26) 31)10-3-11-29)28(13-14-6- 8-15(23)9-7-14)21(25-19)3 2-17-5-2-4-16(24)12-17/h2 ,4-9,12,29H,3,10-11,13H2, 1H3; VYJPVPHNGWEIBT-UHFFFAOYSA-N |
CN1c2c(n(c(n2)Oc3cccc(c3)Cl)Cc4ccc(cc4)C l)C(=O)N(C1=O)CCCO; CN1C(=O)N(CCCO)C(=O) c2n(Cc3ccc(Cl)cc3)c(Oc4cccc(Cl)c4)nc12 |
8-(3-chloranylphenoxy)-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione |
| 22538 | GWS ZINC000000780041 |
3 | C13 H18 N2 O | InChI=1S/C13H18N2O/c16-13 (9-11-5-2-1-3-6-11)15-12- 7-4-8-14-10-12/h4,7-8,10- 11H,1-3,5-6,9H2,(H,15,16); SIURWXONEBYXJD-UHFFFAOYSA-N |
O=C(CC1CCCCC1)Nc2cccnc2; c1cc(cnc1)NC(=O )CC2CCCCC2 |
2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide |
| 22539 | GWT | 6 | C37 H61 N4 O7 | InChI=1S/C37H60N4O7/c1-25 (38-33(42)24-41-18-20-48- 21-19-41)35(44)40-32(23-2 7-12-16-30(47-4)17-13-27) 36(45)39-31(34(43)37(2,3) 46)22-26-10-14-29(15-11-2 6)28-8-6-5-7-9-28/h12-13, 16-17,25-26,28-29,31-32,3 4,43,46H,5-11,14-15,18-24 H2,1-4H3,(H,38,42)(H,39,4 5)(H,40,44)/p+1/t25-,26-, 29-,31-,32-,34+/m0/s1; NFVZHPQTUYEZDK-NNJWJGHISA-O |
COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)C[NH+ ]2CCOCC2)C(=O)N[C@@H](C[C@H]3CC[C@@H](CC 3)C4CCCCC4)[C@@H](O)C(C)(C)O)cc1; C[C@@H ](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H ](CC2CCC(CC2)C3CCCCC3)[C@H](C(C)(C)O)O)N C(=O)C[NH+]4CCOCC4; COc1ccc(C[CH](NC(=O) [CH](C)NC(=O)C[NH+]2CCOCC2)C(=O)N[CH](C[ CH]3CC[CH](CC3)C4CCCCC4)[CH](O)C(C)(C)O) cc1; CC(C(=O)NC(Cc1ccc(cc1)OC)C(=O)NC(CC 2CCC(CC2)C3CCCCC3)C(C(C)(C)O)O)NC(=O)C[N H+]4CCOCC4 |
(2~{S})-~{N}-[(2~{S},3~{R})-1-(4-cyclohexylcyclohexyl)-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ium-4-ylethanoylamino)propanoyl]amino]propanamide |
| 22540 | GWU | 1 | C23 H33 N9 O4 | InChI=1S/C23H33N9O4/c24-7 -4-9-31(10-8-26-23(35)27- 11-15-5-2-1-3-6-15)12-16- 18(33)19(34)22(36-16)32-1 4-30-17-20(25)28-13-29-21 (17)32/h1-3,5-6,13-14,16, 18-19,22,33-34H,4,7-12,24 H2,(H2,25,28,29)(H2,26,27 ,35)/t16-,18-,19-,22-/m1/ s1; XDYSZBVLXUKRDP-WGQQHEPDSA-N |
c1ccc(cc1)CNC(=O)NCCN(CCCN)CC2C(C(C(O2)n 3cnc4c3ncnc4N)O)O; NCCCN(CCNC(=O)NCc1ccc cc1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N) ncnc34; NCCCN(CCNC(=O)NCc1ccccc1)C[C@H]2 O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(N)ncnc34 ; c1ccc(cc1)CNC(=O)NCCN(CCCN)C[C@@H]2[C@ H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O; N CCCN(CCNC(=O)NCc1ccccc1)CC1OC(n2cnc3c(N) ncnc32)C(O)C1O |
5'-{(3-aminopropyl)[2-(benzylcarbamamido)ethyl]amino}-5'-deoxyadenosine |
| 22541 | GWV ZINC000000152549 |
2 | C12 H20 N2 | InChI=1S/C12H20N2/c1-10(2 )13-9-11-5-7-12(8-6-11)14 (3)4/h5-8,10,13H,9H2,1-4H 3; NZXPKDJRJFKEIC-UHFFFAOYSA-N |
CC(C)NCc1ccc(cc1)N(C)C | ~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline |
| 22542 | GWW | 0 | H5 Mo O5 | InChI=1S/Mo.5H2O/h;5*1H2/ q+5;;;;;/p-5; YKIBNQKYGDOJJG-UHFFFAOYSA-I |
O[Mo](O)(O)(O)O | pentakis(oxidanyl)molybdenum |
| 22543 | GWX ZINC000043195715 |
1 | C26 H46 N4 O4 | InChI=1S/C26H46N4O4/c1-25 (2)18-12-13-26(25,3)21(16 -18)30-22(31)20(15-17-9-5 -4-6-10-17)29-24(34)28-19 (23(32)33)11-7-8-14-27/h1 7-21H,4-16,27H2,1-3H3,(H, 30,31)(H,32,33)(H2,28,29, 34)/t18-,19+,20-,21+,26+/ m1/s1; AUFLFYNRNWZZKB-DMOSHBFOSA-N |
CC1(C2CCC1(C(C2)NC(=O)C(CC3CCCCC3)NC(=O) NC(CCCCN)C(=O)O)C)C; CC1(C)[CH]2CC[C]1(C )[CH](C2)NC(=O)[CH](CC3CCCCC3)NC(=O)N[CH ](CCCCN)C(O)=O; CC1(C)[C@@H]2CC[C@@]1(C) [C@H](C2)NC(=O)[C@@H](CC3CCCCC3)NC(=O)N[ C@@H](CCCCN)C(O)=O; C[C@@]12CC[C@@H](C1( C)C)C[C@@H]2NC(=O)[C@@H](CC3CCCCC3)NC(=O )N[C@@H](CCCCN)C(=O)O |
(2S)-6-AMINO-2-[[(1R)-1-(CYCLOHEXYLMETHYL)-2-OXO-2-[[(2S)-1,7,7-TRIMETHYLNORBORNAN-2-YL]AMINO]ETHYL]ARBAMOYLAMINO]HEXANOIC ACID |
| 22544 | GWY ZINC000097166124 |
3 | C10 H14 Cl N3 O | InChI=1S/C10H14ClN3O/c1-1 4(5-8-2-3-15-6-8)10-9(11) 4-12-7-13-10/h4,7-8H,2-3, 5-6H2,1H3/t8-/m0/s1; OYKZBUOZAYBEHE-QMMMGPOBSA-N |
CN(CC1CCOC1)c2c(cncn2)Cl; CN(C[C@@H]1CCO C1)c2ncncc2Cl; CN(C[C@@H]1CCOC1)c2c(cncn 2)Cl; CN(C[CH]1CCOC1)c2ncncc2Cl |
5-chloranyl-~{N}-methyl-~{N}-[[(3~{S})-oxolan-3-yl]methyl]pyrimidin-4-amine |
| 22545 | GWZ | 10 | C40 H61 N5 O7 | InChI=1S/C40H61N5O7/c1-27 (2)23-32(36(47)40(5,6)51) 42-39(50)34(25-30-15-11-8 -12-16-30)44-38(49)33(24- 28(3)4)43-37(48)31(18-17- 29-13-9-7-10-14-29)41-35( 46)26-45-19-21-52-22-20-4 5/h7-16,27-28,31-34,36,47 ,51H,17-26H2,1-6H3,(H,41, 46)(H,42,50)(H,43,48)(H,4 4,49)/t31-,32-,33-,34-,36 +/m0/s1; OXAAUYRSFCOFLZ-PXAMCWLLSA-N |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O) [C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(= O)CN3CCOCC3)[C@@H](O)C(C)(C)O; CC(C)C[CH ](NC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CC(C)C )NC(=O)[CH](CCc2ccccc2)NC(=O)CN3CCOCC3)[ CH](O)C(C)(C)O; CC(C)C[C@@H]([C@H](C(C)( C)O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]( CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(=O)CN3C COCC3; CC(C)CC(C(C(C)(C)O)O)NC(=O)C(Cc1c cccc1)NC(=O)C(CC(C)C)NC(=O)C(CCc2ccccc2) NC(=O)CN3CCOCC3 |
(2~{S})-~{N}-[(2~{S})-1-[[(3~{R},4~{S})-2,6-dimethyl-2,3-bis(oxidanyl)heptan-4-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methyl-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)-4-phenyl-butanoyl]amino]pentanamide |
| 22546 | GX0 CHEMBL1407943 DB15932 ZINC000000057260 |
4 | C19 H20 Cl N3 | InChI=1S/C19H20ClN3/c20-1 6-9-7-15(8-10-16)13-23-18 -6-2-1-5-17(18)21-19(23)1 4-22-11-3-4-12-22/h1-2,5- 10H,3-4,11-14H2; CJXAEXPPLWQRFR-UHFFFAOYSA-N |
c1ccc2c(c1)nc(n2Cc3ccc(cc3)Cl)CN4CCCC4; Clc1ccc(Cn2c(CN3CCCC3)nc4ccccc24)cc1 |
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole; Clemizole |
| 22547 | GX1 ZINC000058650725 |
0 | C12 H19 N6 O6 P S | InChI=1S/C12H19N6O6PS/c13 -12-16-10-9(11(20)17-12)1 4-5-18(10)8-3-6(19)7(24-8 )4-23-25(21,22)15-1-2-26/ h5-8,19,26H,1-4H2,(H2,15, 21,22)(H3,13,16,17,20)/t6 -,7+,8+/m0/s1; VONCJIFEOZVCEV-XLPZGREQSA-N |
NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](C O[P](O)(=O)NCCS)O3; c1nc2c(n1C3CC(C(O3)C OP(=O)(NCCS)O)O)N=C(NC2=O)N; c1nc2c(n1[C @H]3C[C@@H]([C@H](O3)CO[P@](=O)(NCCS)O)O )N=C(NC2=O)N; O=P(O)(OCC3OC(n2cnc1c2N=C( N)NC1=O)CC3O)NCCS; NC1=Nc2n(cnc2C(=O)N1) [C@H]3C[C@H](O)[C@@H](CO[P](O)(=O)NCCS)O 3 |
2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}guanosine |
| 22548 | GX2 | 1 | H17 Mo14 O47 | InChI=1S/14Mo.17H2O.30O/h ;;;;;;;;;;;;;;17*1H2;;;;; ;;;;;;;;;;;;;;;;;;;;;;;;; /q;;;5*+1;6*+2;;;;;;;;;;; ;;;;;;;;;;;;;;;;;;;;;;;;; ;;;;;;;;;;;/p-17; CTEDOAJRLHQTLF-UHFFFAOYSA-A |
O[Mo]12O[Mo]345O[Mo]6(O)(O)(O3)O[Mo]78(O 1)O[Mo]9(O)(O)(O7)O[Mo]%10%11(O2)O[Mo](O )(O)(O4)(O%10)O[Mo]%12%13%14(O)O[Mo]%15( O)O[Mo]%16(O)(O6)(O[Mo](O)(O)(O5)(O%12)O %13)O[Mo](O)(O)(O8)(O%16)O[Mo]%17(O)(O%1 5)(O9)O[Mo](O)(O)(O%11)(O%14)O%17; O[Mo] 12O[Mo]345O[Mo]6(O3)(O[Mo]78(O1)O[Mo]9(O 7)(O[Mo]13(O2)O[Mo](O1)(O4)(O[Mo]124(O[M o]7(O[Mo]%10(O6)(O[Mo](O8)(O%10)(O[Mo]6( O7)(O9)(O[Mo](O3)(O6)(O1)(O)O)O)(O)O)(O[ Mo](O5)(O2)(O4)(O)O)O)O)O)(O)O)(O)O)(O)O |
Mo14O47 cluster |
| 22549 | GX3 CHEMBL4068509 |
1 | C26 H30 Cl2 N6 O4 | InChI=1S/C26H30Cl2N6O4/c1 -5-20(35)33-11-9-32(10-12 -33)7-6-8-34-24-16(15-30- 26(29-2)31-24)13-17(25(34 )36)21-22(27)18(37-3)14-1 9(38-4)23(21)28/h5,13-15H ,1,6-12H2,2-4H3,(H,29,30, 31); PUIXMSRTTHLNKI-UHFFFAOYSA-N |
CNc1ncc2c(n1)N(C(=O)C(=C2)c3c(c(cc(c3Cl) OC)OC)Cl)CCCN4CCN(CC4)C(=O)C=C; CNc1ncc2 C=C(C(=O)N(CCCN3CCN(CC3)C(=O)C=C)c2n1)c4 c(Cl)c(OC)cc(OC)c4Cl |
6-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one; PRN1371 |
| 22550 | GX4 CHEMBL1468135 ZINC000000218564 |
12 | C14 H17 F N2 O | InChI=1S/C14H17FN2O/c15-1 2-3-5-13(6-4-12)16-7-9-17 (10-8-16)14(18)11-1-2-11/ h3-6,11H,1-2,7-10H2; FYCKRJKFEXRNGG-UHFFFAOYSA-N |
c1cc(ccc1N2CCN(CC2)C(=O)C3CC3)F; Fc1ccc( cc1)N2CCN(CC2)C(=O)C3CC3 |
cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone |
| 22551 | GX5 | 2 | C15 H13 Cl N4 O | InChI=1S/C15H13ClN4O/c1-2 0(10-5-7-11(21-2)8-6-10)1 4-13-12(4-3-9-17-13)18-15 (16)19-14/h3-9H,1-2H3; RMEGSJKWVTVCMY-UHFFFAOYSA-N |
CN(c1ccc(cc1)OC)c2c3c(cccn3)nc(n2)Cl; CO c1ccc(cc1)N(C)c2nc(Cl)nc3cccnc23 |
2-chloranyl-N-(4-methoxyphenyl)-N-methyl-pyrido[3,2-d]pyrimidin-4-amine |
| 22552 | GX6 | 2 | C23 H18 F3 N5 O2 | InChI=1S/C23H18F3N5O2/c1- 2-7-23(21(11-22(25,26)12- 21)13-33-20(28)31-23)16-8 -15(4-5-17(16)24)30-19(32 )18-6-3-14(9-27)10-29-18/ h3-6,8,10H,11-13H2,1H3,(H 2,28,31)(H,30,32)/t23-/m1 /s1; GBDJTQDCHCBNSY-HSZRJFAPSA-N |
CC#C[C@@]1(N=C(N)OCC12CC(F)(F)C2)c3cc(NC (=O)c4ccc(cn4)C#N)ccc3F; CC#CC1(C2(CC(C2 )(F)F)COC(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(c n4)C#N; CC#C[C@]1(C2(CC(C2)(F)F)COC(=N1) N)c3cc(ccc3F)NC(=O)c4ccc(cn4)C#N; CC#C[C ]1(N=C(N)OCC12CC(F)(F)C2)c3cc(NC(=O)c4cc c(cn4)C#N)ccc3F |
N-[3-[(9S)-7-azanyl-2,2-bis(fluoranyl)-9-prop-1-ynyl-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide |
| 22553 | GX7 ZINC000000186837 |
1 | C10 H15 N3 O2 | InChI=1S/C10H15N3O2/c14-9 -8(6-11-10(15)13-9)12-7-4 -2-1-3-5-7/h6-7,12H,1-5H2 ,(H2,11,13,14,15); WHMIGQGVTIZZPV-UHFFFAOYSA-N |
N1C=C(C(NC1=O)=O)NC2CCCCC2; C1CCC(CC1)NC 2=CNC(=O)NC2=O; O=C1NC=C(NC2CCCCC2)C(=O) N1 |
5-(cyclohexylamino)pyrimidine-2,4(1H,3H)-dione |
| 22554 | GX8 CHEMBL5172581 |
1 | C31 H30 N2 O11 S2 | InChI=1S/C31H30N2O11S2/c1 -42-24-9-13-26(14-10-24)4 5(38,39)32(19-30(34)35)23 -8-17-28(29(18-23)44-21-2 2-6-4-3-5-7-22)33(20-31(3 6)37)46(40,41)27-15-11-25 (43-2)12-16-27/h3-18H,19- 21H2,1-2H3,(H,34,35)(H,36 ,37); WLXLBNHWWYEQCG-UHFFFAOYSA-N |
COc1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2ccc(c(c 2)OCc3ccccc3)N(CC(=O)O)S(=O)(=O)c4ccc(cc 4)OC; COc1ccc(cc1)[S](=O)(=O)N(CC(O)=O)c 2ccc(N(CC(O)=O)[S](=O)(=O)c3ccc(OC)cc3)c (OCc4ccccc4)c2 |
2-[[4-[2-hydroxy-2-oxoethyl-(4-methoxyphenyl)sulfonyl-amino]-3-phenylmethoxy-phenyl]-(4-methoxyphenyl)sulfonyl-amino]ethanoic acid |
| 22555 | GXA CHEMBL4215846 |
2 | C25 H25 F3 N4 O4 | InChI=1S/C25H25F3N4O4/c1- 31-14-21(30-15-31)17-4-7- 22(20(13-17)24(29)34)35-1 8-8-10-32(11-9-18)23(33)1 2-16-2-5-19(6-3-16)36-25( 26,27)28/h2-7,13-15,18H,8 -12H2,1H3,(H2,29,34); VXJAFFGXYYHGQN-UHFFFAOYSA-N |
Cn1cc(nc1)c2ccc(c(c2)C(=O)N)OC3CCN(CC3)C (=O)Cc4ccc(cc4)OC(F)(F)F; Cn1cnc(c1)c2cc c(OC3CCN(CC3)C(=O)Cc4ccc(OC(F)(F)F)cc4)c (c2)C(N)=O; NC(c3c(OC2CCN(C(Cc1ccc(cc1)O C(F)(F)F)=O)CC2)ccc(c3)c4ncn(C)c4)=O |
5-(1-methyl-1H-imidazol-4-yl)-2-[(1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl)oxy]benzamide |
| 22556 | GXB | 11 | C92 H139 N19 O39 | InChI=1S/C92H139N19O39/c1 -58(114)94-22-32-108(87(1 33)63-8-4-61(5-9-63)50-11 0-52-65(104-106-110)56-14 5-91(89(135)136)48-67(117 )83(147-59(2)115)85(149-9 1)81(131)69(119)54-112)33 -24-96-73(123)14-16-75(12 5)98-26-36-139-42-44-141- 38-28-100-77(127)18-20-79 (129)102-30-40-143-46-47- 144-41-31-103-80(130)21-1 9-78(128)101-29-39-142-45 -43-140-37-27-99-76(126)1 7-15-74(124)97-25-35-109( 34-23-95-72(122)13-12-71( 93)121)88(134)64-10-6-62( 7-11-64)51-111-53-66(105- 107-111)57-146-92(90(137) 138)49-68(118)84(148-60(3 )116)86(150-92)82(132)70( 120)55-113/h4-11,52-53,67 -70,81-86,112-113,117-120 ,131-132H,12-51,54-57H2,1 -3H3,(H2,93,121)(H,94,114 )(H,95,122)(H,96,123)(H,9 7,124)(H,98,125)(H,99,126 )(H,100,127)(H,101,128)(H ,102,129)(H,103,130)(H,13 5,136)(H,137,138)/t67?,68 -,69?,70+,81?,82+,83?,84+ ,85?,86-,91?,92+/m0/s1; NBOMXQZYLQVMQG-PGDFXJOBSA-N |
CC(=O)NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O )CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCN C(=O)CCC(=O)NCCN(CCNC(=O)CCC(N)=O)C(=O)c 1ccc(Cn2cc(CO[C@@]3(C[C@H](O)[C@@H](OC(C )=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O) nn2)cc1)C(=O)c4ccc(Cn5cc(COC6(CC(O)C(OC( C)=O)C(O6)C(O)C(O)CO)C(O)=O)nn5)cc4; CC( =O)NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CC C(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(= O)CCC(=O)NCCN(CCNC(=O)CCC(=O)N)C(=O)c1cc c(cc1)Cn2cc(nn2)COC3(CC(C(C(O3)C(C(CO)O) O)OC(=O)C)O)C(=O)O)C(=O)c4ccc(cc4)Cn5cc( nn5)COC6(CC(C(C(O6)C(C(CO)O)O)OC(=O)C)O) C(=O)O; CC(=O)NCCN(CCNC(=O)CCC(=O)NCCOCC OCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NC COCCOCCNC(=O)CCC(=O)NCCN(CCNC(=O)CCC(=O) N)C(=O)c1ccc(cc1)Cn2cc(nn2)CO[C@@]3(C[C@ @H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O )OC(=O)C)O)C(=O)O)C(=O)c4ccc(cc4)Cn5cc(n n5)COC6(CC(C(C(O6)C(C(CO)O)O)OC(=O)C)O)C (=O)O; CC(=O)NCCN(CCNC(=O)CCC(=O)NCCOCCO CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCC OCCOCCNC(=O)CCC(=O)NCCN(CCNC(=O)CCC(N)=O )C(=O)c1ccc(Cn2cc(CO[C]3(C[CH](O)[CH](OC (C)=O)[CH](O3)[CH](O)[CH](O)CO)C(O)=O)nn 2)cc1)C(=O)c4ccc(Cn5cc(COC6(CC(O)C(OC(C) =O)C(O6)C(O)C(O)CO)C(O)=O)nn5)cc4 |
Sialylated precision glycomacromolecule |
| 22557 | GXC | 1 | C19 H27 N5 O5 S | InChI=1S/C19H27N5O5S/c1-3 -15-17(18(20)23-19(21)22- 15)29-11-6-10-28-16-8-5-4 -7-14(16)9-12-30(26,27)24 -13(2)25/h4-5,7-8H,3,6,9- 12H2,1-2H3,(H,24,25)(H4,2 0,21,22,23); PGOILUWYBOCROS-UHFFFAOYSA-N |
CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCS(=O)(= O)NC(=O)C; CCc1nc(N)nc(N)c1OCCCOc2ccccc2 CC[S](=O)(=O)NC(C)=O; CCc1nc(N)nc(N)c1OC CCOc1ccccc1CCS(=O)(=O)NC(C)=O |
N-[2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)ethanesulfonyl]acetamide |
| 22558 | GXD CHEMBL185070 ZINC000028370558 |
1 | C10 H6 Cl2 O4 | InChI=1S/C10H6Cl2O4/c11-5 -2-1-3-6(12)9(5)7(13)4-8( 14)10(15)16/h1-3H,4H2,(H, 15,16); JNJNEAZUJSUZGZ-UHFFFAOYSA-N |
OC(=O)C(=O)CC(=O)c1c(Cl)cccc1Cl; c1(cccc (Cl)c1C(CC(C(O)=O)=O)=O)Cl; c1cc(c(c(c1) Cl)C(=O)CC(=O)C(=O)O)Cl |
4-(2,6-dichlorophenyl)-2,4-dioxobutanoic acid |
| 22559 | GXE CHEMBL5186653 |
4 | C6 H6 Se | InChI=1S/C6H6Se/c7-6-4-2- 1-3-5-6/h1-5,7H; WDODWFPDZYSKIA-UHFFFAOYSA-N |
[SeH]c1ccccc1; c1ccc(cc1)[SeH] | benzeneselenol |
| 22560 | GXF | 2 | C26 H29 Cl N8 O3 S | InChI=1S/C26H29ClN8O3S/c2 7-17-7-5-15(6-8-17)16-3-1 -4-18(11-16)34-26(29)30-9 -2-10-39-12-19-21(36)22(3 7)25(38-19)35-14-33-20-23 (28)31-13-32-24(20)35/h1, 3-8,11,13-14,19,21-22,25, 36-37H,2,9-10,12H2,(H2,28 ,31,32)(H3,29,30,34)/t19- ,21-,22-,25-/m1/s1; CEYIEWVKCKYWPH-PTGPVQHPSA-N |
c1cc(cc(c1)NC(=N)NCCCSCC2C(C(C(O2)n3cnc4 c3ncnc4N)O)O)c5ccc(cc5)Cl; Nc1ncnc2n(cnc 12)[CH]3O[CH](CSCCCNC(=N)Nc4cccc(c4)c5cc c(Cl)cc5)[CH](O)[CH]3O; [H]/N=C(\NCCCSC[ C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc 3N)O)O)/Nc4cccc(c4)c5ccc(cc5)Cl; Nc1ncnc 2n(cnc12)[C@@H]3O[C@H](CSCCCNC(=N)Nc4ccc c(c4)c5ccc(Cl)cc5)[C@@H](O)[C@H]3O; Clc1 ccc(cc1)c1cc(ccc1)NC(=N)NCCCSCC1OC(n2cnc 3c(N)ncnc32)C(O)C1O |
5'-S-{3-[N'-(4'-chloro[1,1'-biphenyl]-3-yl)carbamimidamido]propyl}-5'-thioadenosine |
| 22561 | GXG | 1 | C10 H6 F2 O4 | InChI=1S/C10H6F2O4/c11-5- 2-1-3-6(12)9(5)7(13)4-8(1 4)10(15)16/h1-3H,4H2,(H,1 5,16); XDJANDPQWKAGNO-UHFFFAOYSA-N |
c1cc(c(c(c1)F)C(=O)CC(=O)C(=O)O)F; OC(=O )C(=O)CC(=O)c1c(F)cccc1F; c1(cccc(c1C(CC (C(O)=O)=O)=O)F)F |
4-(2,6-difluorophenyl)-2,4-dioxobutanoic acid |
| 22562 | GXH | 1 | C31 H28 F N5 O3 S | InChI=1S/C31H28FN5O3S/c1- 39-25-13-14-26(40-2)21(18 -25)10-15-28(38)34-27-19- 22(16-17-33-27)30-29(20-8 -11-23(32)12-9-20)35-31(4 1-30)37-36-24-6-4-3-5-7-2 4/h3-9,11-14,16-19,36H,10 ,15H2,1-2H3,(H,35,37)(H,3 3,34,38); IREZAYNVTNYSLH-UHFFFAOYSA-N |
COc1ccc(OC)c(CCC(=O)Nc2cc(ccn2)c3sc(NNc4 ccccc4)nc3c5ccc(F)cc5)c1; COc1ccc(c(c1)C CC(=O)Nc2cc(ccn2)c3c(nc(s3)NNc4ccccc4)c5 ccc(cc5)F)OC |
3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-(2-phenylhydrazinyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide |
| 22563 | GXI | 2 | C16 H13 Cl F N3 O | InChI=1S/C16H13ClFN3O/c1- 21(11-4-6-12(22-2)7-5-11) 15-13-8-3-10(18)9-14(13)1 9-16(17)20-15/h3-9H,1-2H3; YDRSHVVNDQRNJH-UHFFFAOYSA-N |
COc1ccc(cc1)N(C)c2nc(Cl)nc3cc(F)ccc23; C N(c1ccc(cc1)OC)c2c3ccc(cc3nc(n2)Cl)F |
2-chloranyl-7-fluoranyl-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine |
| 22564 | GXJ | 1 | C19 H26 N4 O4 | InChI=1S/C19H26N4O4/c1-3- 14-16(17(20)23-19(21)22-1 4)27-10-6-9-26-15-8-5-4-7 -13(15)11-12(2)18(24)25/h 4-5,7-8,12H,3,6,9-11H2,1- 2H3,(H,24,25)(H4,20,21,22 ,23)/t12-/m1/s1; ZLMWHEULHKTIRM-GFCCVEGCSA-N |
CCc1nc(N)nc(N)c1OCCCOc1ccccc1CC(C)C(=O)O ; CCc1nc(N)nc(N)c1OCCCOc2ccccc2C[CH](C)C (O)=O; CCc1nc(N)nc(N)c1OCCCOc2ccccc2C[C@ @H](C)C(O)=O; CCc1c(c(nc(n1)N)N)OCCCOc2c cccc2C[C@H](C)C(=O)O; CCc1c(c(nc(n1)N)N) OCCCOc2ccccc2CC(C)C(=O)O |
(2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid |
| 22565 | GXK CHEMBL4525939 |
1 | C17 H15 Cl N6 | InChI=1S/C17H15ClN6/c18-1 6-6-14(19-7-10-1-2-10)17- 20-9-15(24(17)23-16)11-3- 4-13-12(5-11)8-21-22-13/h 3-6,8-10,19H,1-2,7H2,(H,2 1,22); FLFMYUGDCXTOQI-UHFFFAOYSA-N |
c1cc2c(cc1c3cnc4n3nc(cc4NCC5CC5)Cl)c[nH] n2; Clc1cc(NCC2CC2)c3ncc(n3n1)c4ccc5n[nH ]cc5c4 |
6-chloranyl-~{N}-(cyclopropylmethyl)-3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine |
| 22566 | GXL ZINC000001532549 |
19 | C6 H12 O6 | InChI=1S/C6H12O6/c7-1-2-3 (8)4(9)5(10)6(11)12-2/h2- 11H,1H2/t2-,3+,4+,5-,6+/m 0/s1; WQZGKKKJIJFFOK-SXUWKVJYSA-N |
C(C1C(C(C(C(O1)O)O)O)O)O; OC[CH]1O[CH](O )[CH](O)[CH](O)[CH]1O; OC[C@@H]1O[C@@H]( O)[C@@H](O)[C@H](O)[C@@H]1O; C([C@H]1[C@ H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O; OC1 C(O)C(OC(O)C1O)CO |
alpha-L-galactopyranose; alpha-L-galactose; L-galactose; galactose |
| 22567 | GXM CHEMBL1829212 ZINC000101981294 |
1 | C10 H7 N O6 | InChI=1S/C10H7NO6/c12-8(5 -9(13)10(14)15)6-3-1-2-4- 7(6)11(16)17/h1-5,13H,(H, 14,15)/b9-5-; APXXDBVLXHIFHL-UITAMQMPSA-N |
c1(ccccc1C([C@H]=C(C(O)=O)O)=O)[N+]([O-] )=O; OC(=O)C(O)=CC(=O)c1ccccc1[N+]([O-]) =O; c1ccc(c(c1)C(=O)C=C(C(=O)O)O)[N+](=O )[O-]; c1ccc(c(c1)C(=O)/C=C(/C(=O)O)\O)[ N+](=O)[O-]; OC(=O)\C(O)=C\C(=O)c1ccccc1 [N+]([O-])=O |
(2Z)-2-hydroxy-4-(2-nitrophenyl)-4-oxobut-2-enoic acid |
| 22568 | GXN CHEMBL3622051 ZINC000473133947 |
4 | C19 H23 Br N2 O6 S | InChI=1S/C19H23BrN2O6S/c1 -25-16-9-14-11-22(5-4-13( 14)8-17(16)28-29(21,23)24 )10-12-6-15(20)19(27-3)18 (7-12)26-2/h6-9H,4-5,10-1 1H2,1-3H3,(H2,21,23,24); AAQOREQGNICBFR-UHFFFAOYSA-N |
COc1cc(cc(c1OC)Br)CN2CCc3cc(c(cc3C2)OC)O S(=O)(=O)N; COc1cc2CN(CCc2cc1O[S](N)(=O) =O)Cc3cc(Br)c(OC)c(OC)c3 |
[2-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-7-methoxy-3,4-dihydro-1~{H}-isoquinolin-6-yl] sulfamate |
| 22569 | GXO CHEMBL4787795 |
4 | C40 H51 F4 N5 O9 S | InChI=1S/C40H51F4N5O9S/c1 -7-23-16-22(2)10-8-9-11-2 5-20-39(25,35(52)48-59(54 ,55)38(5)13-14-38)47-32(5 0)29-18-26(57-33-27-19-28 (41)30(56-6)17-24(27)12-1 5-45-33)21-49(29)34(51)31 (23)46-36(53)58-37(3,4)40 (42,43)44/h9,11-12,15,17, 19,22-23,25-26,29,31H,7-8 ,10,13-14,16,18,20-21H2,1 -6H3,(H,46,53)(H,47,50)(H ,48,52)/b11-9-/t22-,23-,2 5-,26-,29+,31+,39-/m1/s1; IJNUZTYJYYUXSD-SMNGPBTOSA-N |
CC[CH]1C[CH](C)CCC=C[CH]2C[C]2(NC(=O)[CH ]3C[CH](CN3C(=O)[CH]1NC(=O)OC(C)(C)C(F)( F)F)Oc4nccc5cc(OC)c(F)cc45)C(=O)N[S](=O) (=O)C6(C)CC6; CC[C@@H]1C[C@H](C)CC\C=C/[ C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O )[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc4nccc5cc (OC)c(F)cc45)C(=O)N[S](=O)(=O)C6(C)CC6; CCC1CC(CCC=CC2CC2(NC(=O)C3CC(CN3C(=O)C1N C(=O)OC(C)(C)C(F)(F)F)Oc4c5cc(c(cc5ccn4) OC)F)C(=O)NS(=O)(=O)C6(CC6)C)C; CC[C@@H] 1C[C@@H](CC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@ H]3C[C@H](CN3C(=O)[C@H]1NC(=O)OC(C)(C)C( F)(F)F)Oc4c5cc(c(cc5ccn4)OC)F)C(=O)NS(=O )(=O)C6(CC6)C)C |
[1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate |
| 22570 | GXP ZINC000100624191 |
2 | C5 H6 O5 | InChI=1S/C5H6O5/c6-2-3(7) 1-4(8)5(9)10/h2-3,7H,1H2, (H,9,10)/t3-/m0/s1; QZKCWTOLHHFWCD-VKHMYHEASA-N |
O=CC(O)CC(=O)C(=O)O; C(C(C=O)O)C(=O)C(=O )O; C([C@@H](C=O)O)C(=O)C(=O)O; O[C@@H]( CC(=O)C(O)=O)C=O; O[CH](CC(=O)C(O)=O)C=O |
(4S)-4-hydroxy-2,5-dioxopentanoic acid |
| 22571 | GXQ | 2 | C12 H28 N4 | InChI=1S/C12H28N4/c13-7-1 -9-15-11-3-5-12(6-4-11)16 -10-2-8-14/h11-12,15-16H, 1-10,13-14H2/t11-,12-; PYBOSIQOXDJMFB-HAQNSBGRSA-N |
NCCCN[CH]1CC[CH](CC1)NCCCN; C1CC(CCC1NCC CN)NCCCN; NCCCN[C@@H]1CC[C@H](CC1)NCCCN |
N,N'-Bis(3-aminopropyl)-1,4-cyclohexanediamine |
| 22572 | GXR CHEMBL1586 ZINC000004097285 |
1 | C22 H29 Cl O5 | InChI=1S/C22H29ClO5/c1-12 -8-16-15-5-4-13-9-14(25)6 -7-19(13,2)21(15,23)17(26 )10-20(16,3)22(12,28)18(2 7)11-24/h6-7,9,12,15-17,2 4,26,28H,4-5,8,10-11H2,1- 3H3/t12-,15-,16-,17-,19-, 20-,21-,22-/m0/s1; NBMKJKDGKREAPL-DVTGEIKXSA-N |
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4 (C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O) C(=O)CO; C[CH]1C[CH]2[CH]3CCC4=CC(=O)C=C [C]4(C)[C]3(Cl)[CH](O)C[C]2(C)[C]1(O)C(= O)CO; C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C= C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)C O)O)C)O)Cl)C; CC1CC2C3CCC4=CC(=O)C=CC4(C 3(C(CC2(C1(C(=O)CO)O)C)O)Cl)C |
(8~{S},9~{R},10~{S},11~{S},13~{S},14~{S},16~{S},17~{R})-9-chloranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one |
| 22573 | GXS ZINC000013542639 |
2 | C5 H6 O5 | InChI=1S/C5H6O5/c6-2-3(7) 1-4(8)5(9)10/h2-3,7H,1H2, (H,9,10)/t3-/m1/s1; QZKCWTOLHHFWCD-GSVOUGTGSA-N |
O=CC(O)CC(=O)C(=O)O; C(C(C=O)O)C(=O)C(=O )O; C([C@H](C=O)O)C(=O)C(=O)O; O[C@H](CC (=O)C(O)=O)C=O; O[CH](CC(=O)C(O)=O)C=O |
(4R)-4-hydroxy-2,5-dioxopentanoic acid |
| 22574 | GXT CHEMBL1606435 ZINC000008437750 |
2 | C2 H2 O2 | InChI=1S/C2H2O2/c3-1-2-4/ h1-2H; LEQAOMBKQFMDFZ-UHFFFAOYSA-N |
C(=O)C=O; O=CC=O | ethanedial |
| 22575 | GXU CHEMBL2110734 DB17062 ZINC000001908550 |
5 | C20 H19 N4 O3 | InChI=1S/C20H19N4O3/c1-13 -23(9-10-27-2)17-18(24(13 )12-14-11-21-7-8-22-14)20 (26)16-6-4-3-5-15(16)19(1 7)25/h3-8,11H,9-10,12H2,1 -2H3/q+1; OTSOOHRUMBRSHZ-UHFFFAOYSA-N |
Cc1n(c2c([n+]1Cc3cnccn3)C(=O)c4ccccc4C2= O)CCOC; COCCn1c(C)[n+](Cc2cnccn2)c3C(=O) c4ccccc4C(=O)c13 |
1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione |
| 22576 | GXV ZINC000000901286 |
5 | C3 H6 O3 | InChI=1S/C3H6O3/c4-1-3(6) 2-5/h1,3,5-6H,2H2/t3-/m1/ s1; MNQZXJOMYWMBOU-GSVOUGTGSA-N |
C([C@@H](C=O)O)O; OC[C@H](O)C=O; OCC(O)C =O; C(C(C=O)O)O; OC[CH](O)C=O |
L-glyceraldehyde; Glyceraldehyde; (2S)-2,3-dihydroxypropanal |
| 22577 | GXW | 1 | Cu H2 O61 P2 W17 | InChI=1S/Cu.2HO4P.17H2O.3 6O.17W/c;2*1-5(2,3)4;;;;; ;;;;;;;;;;;;;;;;;;;;;;;;; ;;;;;;;;;;;;;;;;;;;;;;;;; ;;;;;;;;;;;;;;;/h;2*5H;17 *1H2;;;;;;;;;;;;;;;;;;;;; ;;;;;;;;;;;;;;;;;;;;;;;;; ;;;;;;;/q;;;;;;;;;;;;;;;; ;;;;;;;;;;;;;;;;;;;;;;;;; ;;;;;;;;;;;;;;;17*+1/p-17; FJYYOMDTXNHMAS-UHFFFAOYSA-A |
O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[PH] 23O[W]456O[W]78O[Cu]9%10O[W]%11%12O[W]%1 3%14O[W]%15%16O[W]1(O9)(O%11)O[W](O7)(O4 )O[W]%17%18(O[PH]%19%20O[W]%21%22%23O[W] %24(O5)O[W](O2)(O%10)(O8)O[W](O3)(O%12)( O%24)O[W](O%19)(O%13)(O%21)O[W]%25%26(O% 22)O[W]%27(O%14)(O%15)O[W](O[W](O6)(O%17 )O%23)(O%18)(O%25)[O]%20%26%27)O%16; [O] [W]1234O[Cu]56O[W]78(O1)(O2P91O2[W]%10%1 1(O5)(O[W]5%12(O6)(O9[W]6(O7)(O5)(O[W]57 (O8)(O1[W]1(O3)(O5)(O[W]2(O4)(O%10)(O[W] 234(O[W]58(O%11)(O2P29O%10[W]%11(O%12)(O 5)(O[W]%105(O6)(O[W]6%10(O7)(O2[W](O1)(O 3)(O6)(O[W]12(O4)(O93[W](O8)(O%11)(O1)(O [W]3(O5)(O%10)(O2)[O])[O])[O])[O])[O])[O ])[O])[O])[O])[O])[O])[O])[O])[O])[O])[O ]; O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[ PH]23O[W]456O[W]78O[Cu@@]9%10O[W]%11%12O [W]%13%14O[W]%15%16O[W]1(O9)(O%11)O[W](O 7)(O4)O[W]%17%18(O[PH]%19%20O[W]%21%22%2 3O[W]%24(O5)O[W](O2)(O%10)(O8)O[W](O3)(O %12)(O%24)O[W](O%19)(O%13)(O%21)O[W]%25% 26(O%22)O[W]%27(O%14)(O%15)O[W](O[W](O6) (O%17)O%23)(O%18)(O%25)[O]%20%26%27)O%16 |
Cu(II)-substituted Wells-Dawson |
| 22578 | GXY ZINC000009372393 |
4 | C8 H10 Br N O2 | InChI=1S/C8H10BrNO2/c1-11 -7-4-6(10)8(12-2)3-5(7)9/ h3-4H,10H2,1-2H3; YLONQFVJDASUEB-UHFFFAOYSA-N |
COc1cc(Br)c(OC)cc1N; COc1cc(c(cc1Br)OC)N | 4-bromo-2,5-dimethoxyaniline |
| 22579 | GXZ | 1 | H2 Ni O61 P2 W17 | InChI=1S/Ni.2HO4P.17H2O.3 6O.17W/c;2*1-5(2,3)4;;;;; ;;;;;;;;;;;;;;;;;;;;;;;;; ;;;;;;;;;;;;;;;;;;;;;;;;; ;;;;;;;;;;;;;;;/h;2*5H;17 *1H2;;;;;;;;;;;;;;;;;;;;; ;;;;;;;;;;;;;;;;;;;;;;;;; ;;;;;;;/q;;;;;;;;;;;;;;;; ;;;;;;;;;;;;;;;;;;;;;;;;; ;;;;;;;;;;;;;;;17*+1/p-17; HLPLUIGJBNKVKD-UHFFFAOYSA-A |
O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[PH] 23O[W]456O[Ni@@]78O[W]9%10O[W]%11%12O[W] (O2)(O7)(O[W]%13%14O[W]%15(O4)O[W]%16%17 %18O[PH]%19%20O[W]%21(O%11)(O%13)O[W]%22 %23(O%19)O[W](O[W]%24(O[W](O[W]1(O8)(O9) O%24)(O5)O%16)O[W](O3)(O%10)(O%12)O%22)( O%17)O[W]%25%26(O%18)O[W]%27(O%15)(O%14) O[W](O%21)(O%23)(O%25)[O]%20%26%27)O6; [ O][W]1234O[Ni]56O[W]78(O1)(O2P91O2[W]%10 %11(O5)(O[W]5%12(O6)(O9[W]6(O7)(O5)(O[W] 57(O8)(O1[W]1(O3)(O5)(O[W]2(O4)(O%10)(O[ W]234(O[W]58(O%11)(O2P29O%10[W]%11(O%12) (O5)(O[W]%105(O6)(O[W]6%10(O7)(O2[W](O1) (O3)(O6)(O[W]12(O4)(O93[W](O8)(O%11)(O1) (O[W]3(O5)(O%10)(O2)[O])[O])[O])[O])[O]) [O])[O])[O])[O])[O])[O])[O])[O])[O])[O]) [O]; O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O 1[PH]23O[W]456O[Ni]78O[W]9%10O[W]%11%12O [W](O2)(O7)(O[W]%13%14O[W]%15(O4)O[W]%16 %17%18O[PH]%19%20O[W]%21(O%11)(O%13)O[W] %22%23(O%19)O[W](O[W]%24(O[W](O[W]1(O8)( O9)O%24)(O5)O%16)O[W](O3)(O%10)(O%12)O%2 2)(O%17)O[W]%25%26(O%18)O[W]%27(O%15)(O% 14)O[W](O%21)(O%23)(O%25)[O]%20%26%27)O6 |
Ni(II)-substituted Wells-Dawson |
| 22580 | GY0 | 1 | C14 H24 O5 S | InChI=1S/C14H24O5S/c1-11( 15)6-4-3-5-7-12(16)10-14( 18)20-9-8-13(17)19-2/h5,7 ,11-12,15-16H,3-4,6,8-10H 2,1-2H3/b7-5+/t11-,12+/m1 /s1; ALEAPVQZLMYNNX-BAEOLTKYSA-N |
C[C@H](CCC/C=C/[C@@H](CC(=O)SCCC(=O)OC)O )O; CC(CCCC=CC(CC(=O)SCCC(=O)OC)O)O; COC (=O)CCSC(=O)C[CH](O)C=CCCC[CH](C)O; COC( =O)CCSC(=O)C[C@@H](O)\C=C\CCC[C@@H](C)O |
methyl 3-[(E,3R,9R)-3,9-bis(oxidanyl)dec-4-enoyl]sulfanylpropanoate |
| 22581 | GY1 CHEMBL3623612 ZINC000219046121 |
4 | C42 H53 N O11 | InChI=1S/C42H53NO11/c1-48 -34-20-18-27(22-35(34)49- 2)17-19-33(29-14-11-15-31 (23-29)53-26-38(44)45)54- 42(47)32-16-9-10-21-43(32 )41(46)39(28-12-7-6-8-13- 28)30-24-36(50-3)40(52-5) 37(25-30)51-4/h11,14-15,1 8,20,22-25,28,32-33,39H,6 -10,12-13,16-17,19,21,26H 2,1-5H3,(H,44,45)/t32-,33 +,39-/m0/s1; OEQZPFWOEOOISR-AKTKKGGCSA-N |
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O )[C@@H](C3CCCCC3)c4cc(OC)c(OC)c(OC)c4)c5 cccc(OCC(O)=O)c5)cc1OC; COc1ccc(CC[CH](O C(=O)[CH]2CCCCN2C(=O)[CH](C3CCCCC3)c4cc( OC)c(OC)c(OC)c4)c5cccc(OCC(O)=O)c5)cc1OC ; COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O )O)OC(=O)[C@@H]3CCCCN3C(=O)[C@H](c4cc(c( c(c4)OC)OC)OC)C5CCCCC5; COc1ccc(cc1OC)CC C(c2cccc(c2)OCC(=O)O)OC(=O)C3CCCCN3C(=O) C(c4cc(c(c(c4)OC)OC)OC)C5CCCCC5 |
2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid |
| 22582 | GY2 | 2 | C16 H13 Cl F N3 O | InChI=1S/C16H13ClFN3O/c1- 21(11-4-6-12(22-2)7-5-11) 15-13-9-10(18)3-8-14(13)1 9-16(17)20-15/h3-9H,1-2H3; ADRFNWYRQHDFFC-UHFFFAOYSA-N |
CN(c1ccc(cc1)OC)c2c3cc(ccc3nc(n2)Cl)F; C Oc1ccc(cc1)N(C)c2nc(Cl)nc3ccc(F)cc23 |
2-chloranyl-6-fluoranyl-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine |
| 22583 | GY3 ZINC000103544004 |
5 | C18 H22 N2 O3 | InChI=1S/C18H22N2O3/c1-4- 13-10-12(3)11-14(5-2)15(1 3)16-17(21)19-6-8-23-9-7- 20(19)18(16)22/h4,10-11,1 6H,1,5-9H2,2-3H3; CYYDMVKNZPACLF-UHFFFAOYSA-N |
CCc1cc(cc(c1C2C(=O)N3CCOCCN3C2=O)C=C)C; O=C2N3N(C(=O)C2c1c(\C=C)cc(cc1CC)C)CCOCC 3; CCc1cc(C)cc(C=C)c1C2C(=O)N3CCOCCN3C2= O |
8-(2-ethenyl-6-ethyl-4-methylphenyl)tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione |
| 22584 | GY4 | 1 | C17 H16 Cl N3 O5 | InChI=1S/C17H16ClN3O5/c18 -10-5-3-9(4-6-10)8-12(22) 21-7-1-2-11(21)15-19-13(1 7(25)26)14(23)16(24)20-15 /h3-6,11,23H,1-2,7-8H2,(H ,25,26)(H,19,20,24)/t11-/ m0/s1; CQILGBVKKQRECN-NSHDSACASA-N |
OC(=O)C1=C(O)C(=O)NC(=N1)[C@@H]2CCCN2C(= O)Cc3ccc(Cl)cc3; C3(NC(C1CCCN1C(=O)Cc2cc c(Cl)cc2)=NC(=C3O)C(O)=O)=O; OC(=O)C1=C( O)C(=O)NC(=N1)[CH]2CCCN2C(=O)Cc3ccc(Cl)c c3; c1cc(ccc1CC(=O)N2CCCC2C3=NC(=C(C(=O) N3)O)C(=O)O)Cl; c1cc(ccc1CC(=O)N2CCC[C@H ]2C3=NC(=C(C(=O)N3)O)C(=O)O)Cl |
2-{(2S)-1-[(4-chlorophenyl)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid; SRI-29775 |
| 22585 | GY5 | 1 | C20 H24 N4 O6 | InChI=1S/C20H24N4O6/c1-29 -11-9-21-19(27)16-17(26)2 0(28)23-18(22-16)14-8-5-1 0-24(14)15(25)12-30-13-6- 3-2-4-7-13/h2-4,6-7,14,26 H,5,8-12H2,1H3,(H,21,27)( H,22,23,28)/t14-/m0/s1; QXPINDFCNAGJSF-AWEZNQCLSA-N |
N1(CCCC1C2=NC(C(NCCOC)=O)=C(C(N2)=O)O)C( =O)COc3ccccc3; COCCNC(=O)C1=C(O)C(=O)NC( =N1)[C@@H]2CCCN2C(=O)COc3ccccc3; COCCNC( =O)C1=C(C(=O)NC(=N1)C2CCCN2C(=O)COc3cccc c3)O; COCCNC(=O)C1=C(C(=O)NC(=N1)[C@@H]2 CCCN2C(=O)COc3ccccc3)O; COCCNC(=O)C1=C(O )C(=O)NC(=N1)[CH]2CCCN2C(=O)COc3ccccc3 |
5-hydroxy-N-(2-methoxyethyl)-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxamide; SRI-29685 |
| 22586 | GY6 | 3 | C24 H22 Cl2 N4 O4 | InChI=1S/C24H22Cl2N4O4/c2 5-15-8-4-9-16(26)18(15)24 (34)30-13-5-10-17(30)21-2 8-19(20(31)23(33)29-21)22 (32)27-12-11-14-6-2-1-3-7 -14/h1-4,6-9,17,31H,5,10- 13H2,(H,27,32)(H,28,29,33 )/t17-/m0/s1; AEFIMSPWYSLTJK-KRWDZBQOSA-N |
c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)C3CCC N3C(=O)c4c(cccc4Cl)Cl)O; OC1=C(N=C(NC1=O )[C@@H]2CCCN2C(=O)c3c(Cl)cccc3Cl)C(=O)NC Cc4ccccc4; c1ccc(cc1)CCNC(=O)C2=C(C(=O)N C(=N2)[C@@H]3CCCN3C(=O)c4c(cccc4Cl)Cl)O; OC1=C(N=C(NC1=O)[CH]2CCCN2C(=O)c3c(Cl)c ccc3Cl)C(=O)NCCc4ccccc4; C2(=NC(C(=O)NCC c1ccccc1)=C(O)C(N2)=O)C3CCCN3C(c4c(cccc4 Cl)Cl)=O |
2-[(2S)-1-(2,6-dichlorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide |
| 22587 | GY7 | 1 | C24 H22 F2 N4 O4 | InChI=1S/C24H22F2N4O4/c25 -15-8-4-9-16(26)18(15)24( 34)30-13-5-10-17(30)21-28 -19(20(31)23(33)29-21)22( 32)27-12-11-14-6-2-1-3-7- 14/h1-4,6-9,17,31H,5,10-1 3H2,(H,27,32)(H,28,29,33) /t17-/m0/s1; XCPZFRIVOHADCX-KRWDZBQOSA-N |
OC1=C(N=C(NC1=O)[CH]2CCCN2C(=O)c3c(F)ccc c3F)C(=O)NCCc4ccccc4; c1ccc(cc1)CCNC(=O) C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)c4c(cc cc4F)F)O; c4(F)c(C(N3CCCC3C1=NC(=C(O)C(N 1)=O)C(=O)NCCc2ccccc2)=O)c(ccc4)F; c1ccc (cc1)CCNC(=O)C2=C(C(=O)NC(=N2)C3CCCN3C(= O)c4c(cccc4F)F)O; OC1=C(N=C(NC1=O)[C@@H] 2CCCN2C(=O)c3c(F)cccc3F)C(=O)NCCc4ccccc4 |
2-[(2S)-1-(2,6-difluorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide; SRI-29731 |
| 22588 | GY8 | 1 | C24 H21 Cl2 N5 O4 | InChI=1S/C24H21Cl2N5O4/c2 5-15-10-27-11-16(26)18(15 )24(35)31-7-3-6-17(31)21- 29-19(20(32)23(34)30-21)2 2(33)28-14-8-12-4-1-2-5-1 3(12)9-14/h1-2,4-5,10-11, 14,17,32H,3,6-9H2,(H,28,3 3)(H,29,30,34)/t17-/m0/s1; NJMRSWDIFAMYDM-KRWDZBQOSA-N |
OC1=C(N=C(NC1=O)[CH]2CCCN2C(=O)c3c(Cl)cn cc3Cl)C(=O)NC4Cc5ccccc5C4; c1ccc2c(c1)CC (C2)NC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C (=O)c5c(cncc5Cl)Cl)O; c1ccc2c(c1)CC(C2)N C(=O)C3=C(C(=O)NC(=N3)C4CCCN4C(=O)c5c(cn cc5Cl)Cl)O; OC1=C(N=C(NC1=O)[C@@H]2CCCN2 C(=O)c3c(Cl)cncc3Cl)C(=O)NC4Cc5ccccc5C4; c1(Cl)cncc(c1C(N5CCCC5C=4NC(C(O)=C(C(=O )NC2Cc3c(C2)cccc3)N=4)=O)=O)Cl |
2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropy rimidine-4-carboxamide; SRI-29928 |
| 22589 | GY9 | 1 | C25 H25 Cl N4 O6 | InChI=1S/C25H25ClN4O6/c26 -17-9-4-5-11-19(17)36-15- 20(31)30-13-6-10-18(30)23 -28-21(22(32)25(34)29-23) 24(33)27-12-14-35-16-7-2- 1-3-8-16/h1-5,7-9,11,18,3 2H,6,10,12-15H2,(H,27,33) (H,28,29,34)/t18-/m0/s1; FJNCSYKYMWITQI-SFHVURJKSA-N |
OC1=C(N=C(NC1=O)[CH]2CCCN2C(=O)COc3ccccc 3Cl)C(=O)NCCOc4ccccc4; OC1=C(N=C(NC1=O)[ C@@H]2CCCN2C(=O)COc3ccccc3Cl)C(=O)NCCOc4 ccccc4; C=2(NC(C(=C(C(=O)NCCOc1ccccc1)N= 2)O)=O)C4CCCN4C(COc3c(cccc3)Cl)=O; c1ccc (cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)C3CCCN3C( =O)COc4ccccc4Cl)O; c1ccc(cc1)OCCNC(=O)C2 =C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)COc4cccc c4Cl)O |
2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide; SRI-29835 |
| 22590 | GYA | 2 | C28 H29 Cl N4 O6 S | InChI=1S/C28H29ClN4O6S/c1 -38-20-12-15-10-17(11-16( 15)13-21(20)39-2)30-27(36 )24-25(35)28(37)32-26(31- 24)19-7-5-9-33(19)23(34)1 4-40-22-8-4-3-6-18(22)29/ h3-4,6,8,12-13,17,19,35H, 5,7,9-11,14H2,1-2H3,(H,30 ,36)(H,31,32,37)/t19-/m0/ s1; DUURZOUMZXZFQN-IBGZPJMESA-N |
COc1cc2c(cc1OC)CC(C2)NC(=O)C3=C(C(=O)NC( =N3)C4CCCN4C(=O)CSc5ccccc5Cl)O; COc1cc2c (cc1OC)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)[C@@ H]4CCCN4C(=O)CSc5ccccc5Cl)O; C3(=O)C(O)= C(C(=O)NC2Cc1cc(OC)c(cc1C2)OC)N=C(N3)C4C CCN4C(CSc5ccccc5Cl)=O; COc1cc2CC(Cc2cc1O C)NC(=O)C3=C(O)C(=O)NC(=N3)[C@@H]4CCCN4C (=O)CSc5ccccc5Cl; COc1cc2CC(Cc2cc1OC)NC( =O)C3=C(O)C(=O)NC(=N3)[CH]4CCCN4C(=O)CSc 5ccccc5Cl |
2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-ox o-1,6-dihydropyrimidine-4-carboxamide; SRI-30026 |
| 22591 | GYB ZINC000584905609 |
6 | C19 H19 Br N4 O3 | InChI=1S/C19H19BrN4O3/c1- 10-5-12-7-16-17(27-9-26-1 6)8-13(12)18(23-24(10)19( 25)22-2)11-3-4-15(21)14(2 0)6-11/h3-4,6-8,10H,5,9,2 1H2,1-2H3,(H,22,25)/t10-/ m1/s1; OZUDBWJNUXUTGY-SNVBAGLBSA-N |
C[C@@H]1Cc2cc3c(cc2C(=NN1C(=O)NC)c4ccc(c (c4)Br)N)OCO3; CC1Cc2cc3c(cc2C(=NN1C(=O) NC)c4ccc(c(c4)Br)N)OCO3; CNC(=O)N1N=C(c2 ccc(N)c(Br)c2)c3cc4OCOc4cc3C[CH]1C; CNC( =O)N1N=C(c2ccc(N)c(Br)c2)c3cc4OCOc4cc3C[ C@H]1C; CNC(N3C(Cc2cc1OCOc1cc2C(=N3)c4cc (Br)c(cc4)N)C)=O |
(8R)-5-(4-amino-3-bromophenyl)-N,8-dimethyl-8,9-dihydro-2H,7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide |
| 22592 | GYC ZINC000098208975 |
0 | C14 H15 N3 O4 S | InChI=1S/C14H15N3O4S/c15- 10(7-22)13-16-11(14(21)17 (13)6-12(19)20)5-8-1-3-9( 18)4-2-8/h1-5,10,18,22H,6 -7,15H2,(H,19,20)/b11-5-/ t10-/m0/s1; YINRVYIMXSNUJH-QIMWGGGBSA-N |
c1cc(ccc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N) CC(=O)O)O; N[C@@H](CS)C1=N\C(=C/c2ccc(O) cc2)C(=O)N1CC(O)=O; c1cc(ccc1C=C2C(=O)N( C(=N2)C(CS)N)CC(=O)O)O; N[CH](CS)C1=NC(= Cc2ccc(O)cc2)C(=O)N1CC(O)=O; O=C1C(\N=C( N1CC(=O)O)C(N)CS)=C\c2ccc(O)cc2 |
[(4Z)-2-[(1R)-1-AMINO-2-MERCAPTOETHYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID; CHROMOPHORE (CYS-TYR-GLY) |
| 22593 | GYD | 0 | C29 H52 N10 O6 | InChI=1S/C29H52N10O6/c30- 22(7-4-15-38-29(32)33)27( 44)36-16-6-13-35-12-5-11- 34-10-2-1-3-14-37-28(45)2 3(19-25(31)42)39-26(43)17 -20-8-9-21(40)18-24(20)41 /h8-9,18,22-23,34-35,40-4 1H,1-7,10-17,19,30H2,(H2, 31,42)(H,36,44)(H,37,45)( H,39,43)(H4,32,33,38)/t22 -,23-/m1/s1; FTNICLJXPYLDAH-DHIUTWEWSA-N |
N[CH](CCCNC(N)=N)C(=O)NCCCNCCCNCCCCCNC(= O)[CH](CC(N)=O)NC(=O)Cc1ccc(O)cc1O; c1cc (c(cc1O)O)CC(=O)NC(CC(=O)N)C(=O)NCCCCCNC CCNCCCNC(=O)C(CCCNC(=N)N)N; N[C@H](CCCNC (N)=N)C(=O)NCCCNCCCNCCCCCNC(=O)[C@@H](CC (N)=O)NC(=O)Cc1ccc(O)cc1O; N(C(Cc1c(cc(O )cc1)O)=O)C(C(=O)NCCCCCNCCCNCCCNC(C(N)CC CN\C(=N)N)=O)CC(=O)N; [H]/N=C(\N)/NCCC[C @H](C(=O)NCCCNCCCNCCCCCNC(=O)[C@@H](CC(= O)N)NC(=O)Cc1ccc(cc1O)O)N |
N~1~-{5-[(3-{[3-(D-arginylamino)propyl]amino}propyl)amino]pentyl}-N~2~-[(2,4-dihydroxyphenyl)acetyl]-D-aspartamide |
| 22594 | GYE | 2 | C6 H12 O5 | InChI=1S/C6H12O5/c1-2(7)5 -3(8)4(9)6(10)11-5/h2-10H ,1H3/t2-,3-,4-,5+,6-/m1/s 1; AFNUZVCFKQUDBJ-DGPNFKTASA-N |
C[CH](O)[CH]1O[CH](O)[CH](O)[CH]1O; C[C@ @H](O)[C@@H]1O[C@@H](O)[C@H](O)[C@H]1O; CC(C1C(C(C(O1)O)O)O)O; C[C@H]([C@H]1[C@@ H]([C@H]([C@@H](O1)O)O)O)O |
beta-D-fucofuranose; beta-D-fucose; 6-deoxy-beta-D-galactofuranose; D-fucose; fucose |
| 22595 | GYF CHEMBL3188420 ZINC000003860879 |
1 | C4 H8 O2 S | InChI=1S/C4H8O2S/c1-6-4(5 )2-3-7/h7H,2-3H2,1H3; LDTLDBDUBGAEDT-UHFFFAOYSA-N |
COC(=O)CCS | methyl 3-sulfanylpropanoate |
| 22596 | GYG | 1 | C11 H22 N4 O8 S | InChI=1S/C11H22N4O8S/c1-4 (17)14-8-5(15-11(12)13)2- 7(24(20,21)22)23-10(8)9(1 9)6(18)3-16/h5-10,16,18-1 9H,2-3H2,1H3,(H,14,17)(H4 ,12,13,15)(H,20,21,22)/t5 -,6+,7+,8+,9+,10+/m0/s1; SMAXKAOIZYKFEF-IHICSVBISA-N |
CC(=O)N[CH]1[CH](C[CH](O[CH]1[CH](O)[CH] (O)CO)[S](O)(=O)=O)NC(N)=N; [H]/N=C(/N)\ N[C@H]1C[C@H](O[C@H]([C@@H]1NC(=O)C)[C@@ H]([C@@H](CO)O)O)S(=O)(=O)O; CC(=O)NC1C( CC(OC1C(C(CO)O)O)S(=O)(=O)O)NC(=N)N; CC( =O)N[C@@H]1[C@H](C[C@H](O[C@H]1[C@H](O)[ C@H](O)CO)[S](O)(=O)=O)NC(N)=N; C1(CC(C( C(C(C(O)CO)O)O1)NC(C)=O)NC(\N)=N)S(=O)(= O)O |
(1R)-4-acetamido-1,5-anhydro-3-carbamimidamido-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol; (1R)-4-(acetylamino)-1,5-anhydro-3-carbamimidamido-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol |
| 22597 | GYI | 1 | C21 H31 N5 O5 S | InChI=1S/C21H31N5O5S/c1-4 -16-19(20(22)25-21(23)24- 16)31-13-7-12-30-17-9-6-5 -8-15(17)10-11-18(27)26-3 2(28,29)14(2)3/h5-6,8-9,1 4H,4,7,10-13H2,1-3H3,(H,2 6,27)(H4,22,23,24,25); QXPZUWQEJRSGQD-UHFFFAOYSA-N |
CCc1nc(N)nc(N)c1OCCCOc2ccccc2CCC(=O)N[S] (=O)(=O)C(C)C; CCc1nc(N)nc(N)c1OCCCOc1cc ccc1CCC(=O)NS(=O)(=O)C(C)C; CCc1c(c(nc(n 1)N)N)OCCCOc2ccccc2CCC(=O)NS(=O)(=O)C(C) C |
3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(propane-2-sulfonyl)propanamide |
| 22598 | GYK CHEMBL411664 ZINC000000598361 |
8 | C19 H20 N4 O3 | InChI=1S/C19H20N4O3/c1-11 -7-13-8-16-17(26-10-25-16 )9-15(13)18(22-23(11)19(2 4)21-2)12-3-5-14(20)6-4-1 2/h3-6,8-9,11H,7,10,20H2, 1-2H3,(H,21,24)/t11-/m1/s 1; SMGACXZFVXKEAX-LLVKDONJSA-N |
CC1Cc2cc3c(cc2C(=NN1C(=O)NC)c4ccc(cc4)N) OCO3; CNC(=O)N1N=C(c2ccc(N)cc2)c3cc4OCOc 4cc3C[C@H]1C; CC2Cc1cc4c(cc1C(=NN2C(=O)N C)c3ccc(cc3)N)OCO4; C[C@@H]1Cc2cc3c(cc2C (=NN1C(=O)NC)c4ccc(cc4)N)OCO3; CNC(=O)N1 N=C(c2ccc(N)cc2)c3cc4OCOc4cc3C[CH]1C |
(8R)-5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-2H,7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide |
| 22599 | GYL | 2 | C18 H17 Cl F N5 O | InChI=1S/C18H17ClFN5O/c1- 2-16(26)22-12-6-3-5-11(9- 12)17-23-18(25-24-17)21-1 0-13-14(19)7-4-8-15(13)20 /h3-9H,2,10H2,1H3,(H,22,2 6)(H2,21,23,24,25); RBMCVMVCNBYBCI-UHFFFAOYSA-N |
CCC(=O)Nc1cccc(c1)c2nc([nH]n2)NCc3c(cccc 3Cl)F; CCC(=O)Nc1cccc(c1)c2n[nH]c(NCc3c( F)cccc3Cl)n2; c3(Cl)c(CNc2nc(c1cc(NC(CC) =O)ccc1)nn2)c(ccc3)F |
N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide |
| 22600 | GYM ZINC000032840883 |
1 | C17 H34 O4 | InChI=1S/C17H34O4/c1-2-3- 4-5-6-7-8-9-10-11-12-13-1 7(20)21-15-16(19)14-18/h1 6,18-19H,2-15H2,1H3/t16-/ m0/s1; DCBSHORRWZKAKO-INIZCTEOSA-N |
CCCCCCCCCCCCCC(=O)OC[CH](O)CO; CCCCCCCCC CCCCC(=O)OCC(CO)O; O=C(OCC(O)CO)CCCCCCCC CCCCC; CCCCCCCCCCCCCC(=O)OC[C@H](CO)O; C CCCCCCCCCCCCC(=O)OC[C@@H](O)CO |
(2R)-2,3-dihydroxypropyl tetradecanoate |