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Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 17601 |  A1L43 |
4 | C21 H28 N O5 P | InChI=1S/C21H28NO5P/c23-2 1(16-15-20(28(25,26)27)19 -13-7-2-8-14-19)22(24)17- 9-3-6-12-18-10-4-1-5-11-1 8/h1-2,4-5,7-8,10-11,13-1 4,20,24H,3,6,9,12,15-17H2 ,(H2,25,26,27)/t20-/m0/s1; AANJIYFRFCIZKZ-FQEVSTJZSA-N |
c1ccc(cc1)CCCCCN(C(=O)CCC(c2ccccc2)P(=O) (O)O)O; c1ccc(cc1)CCCCCN(C(=O)CC[C@@H](c 2ccccc2)P(=O)(O)O)O; ON(CCCCCc1ccccc1)C( =O)CC[CH](c2ccccc2)[P](O)(O)=O; ON(CCCCC c1ccccc1)C(=O)CC[C@@H](c2ccccc2)[P](O)(O )=O |
[(1~{S})-4-oxidanylidene-4-[oxidanyl(5-phenylpentyl)amino]-1-phenyl-butyl]phosphonic acid |
| 17602 |  A1L44 |
2 | C20 H26 N O5 P | InChI=1S/C20H26NO5P/c1-16 -9-11-17(12-10-16)6-5-15- 21(23)20(22)14-13-19(27(2 4,25)26)18-7-3-2-4-8-18/h 2-4,7-12,19,23H,5-6,13-15 H2,1H3,(H2,24,25,26)/t19- /m0/s1; AUSLCTOGLASKDK-IBGZPJMESA-N |
Cc1ccc(cc1)CCCN(C(=O)CC[C@@H](c2ccccc2)P (=O)(O)O)O; Cc1ccc(cc1)CCCN(C(=O)CCC(c2c cccc2)P(=O)(O)O)O; Cc1ccc(CCCN(O)C(=O)CC [CH](c2ccccc2)[P](O)(O)=O)cc1; Cc1ccc(CC CN(O)C(=O)CC[C@@H](c2ccccc2)[P](O)(O)=O) cc1 |
[(1~{S})-4-[3-(4-methylphenyl)propyl-oxidanyl-amino]-4-oxidanylidene-1-phenyl-butyl]phosphonic acid |
| 17603 |  A1L45 |
2 | C20 H26 N O6 P | InChI=1S/C20H26NO6P/c1-27 -18-11-9-16(10-12-18)6-5- 15-21(23)20(22)14-13-19(2 8(24,25)26)17-7-3-2-4-8-1 7/h2-4,7-12,19,23H,5-6,13 -15H2,1H3,(H2,24,25,26)/t 19-/m0/s1; YVQMUBYZMYMZEU-IBGZPJMESA-N |
COc1ccc(cc1)CCCN(C(=O)CCC(c2ccccc2)P(=O) (O)O)O; COc1ccc(CCCN(O)C(=O)CC[CH](c2ccc cc2)[P](O)(O)=O)cc1; COc1ccc(CCCN(O)C(=O )CC[C@@H](c2ccccc2)[P](O)(O)=O)cc1; COc1 ccc(cc1)CCCN(C(=O)CC[C@@H](c2ccccc2)P(=O )(O)O)O |
[(1~{S})-4-[3-(4-methoxyphenyl)propyl-oxidanyl-amino]-4-oxidanylidene-1-phenyl-butyl]phosphonic acid |
| 17604 |  A1L46 |
10 | C16 H16 N2 O6 | InChI=1S/C16H16N2O6/c19-1 2(20)5-6-16(15(23)24)13-9 (7-11(18-16)14(21)22)8-3- 1-2-4-10(8)17-13/h1-4,11, 17-18H,5-7H2,(H,19,20)(H, 21,22)(H,23,24)/t11-,16-/ m0/s1; ZSFFNSLTDHOYOC-ZBEGNZNMSA-N |
OC(=O)CC[C@@]1(N[C@@H](Cc2c1[nH]c3ccccc2 3)C(O)=O)C(O)=O; c1ccc2c(c1)c3c([nH]2)C( NC(C3)C(=O)O)(CCC(=O)O)C(=O)O; c1ccc2c(c 1)c3c([nH]2)[C@@](N[C@@H](C3)C(=O)O)(CCC (=O)O)C(=O)O; OC(=O)CC[C]1(N[CH](Cc2c1[n H]c3ccccc23)C(O)=O)C(O)=O |
(1~{S},3~{S})-1-(3-hydroxy-3-oxopropyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3-dicarboxylic acid |
| 17605 |  A1L47 |
3 | C22 H19 N5 O3 S | InChI=1S/C22H19N5O3S/c23- 19-8-4-5-9-20(19)24-22(28 )17-12-10-16(11-13-17)21- 14-27(26-25-21)15-31(29,3 0)18-6-2-1-3-7-18/h1-14H, 15,23H2,(H,24,28); SOJIATBITBDKBA-UHFFFAOYSA-N |
Nc1ccccc1NC(=O)c2ccc(cc2)c3cn(C[S](=O)(= O)c4ccccc4)nn3; c1ccc(cc1)S(=O)(=O)Cn2cc (nn2)c3ccc(cc3)C(=O)Nc4ccccc4N |
N-(2-aminophenyl)-4-(1-((phenylsulfonyl)methyl)-1H-1,2,3-triazol-4-yl)benzamide; ~{N}-(2-aminophenyl)-4-[1-(phenylsulfonylmethyl)-1,2,3-triazol-4-yl]benzamide |
| 17606 |  A1L4A |
1 | C23 H22 N2 O5 | InChI=1S/C23H22N2O5/c1-13 -16(22(28)21-18(26)5-4-6- 19(21)27)11-12-17-20(13)2 3(29)25(24(17)2)14-7-9-15 (30-3)10-8-14/h7-12,26H,4 -6H2,1-3H3; BLFYOOFXNSCKPF-UHFFFAOYSA-N |
Cc1c(ccc2c1C(=O)N(N2C)c3ccc(cc3)OC)C(=O) C4=C(CCCC4=O)O; COc1ccc(cc1)N2N(C)c3ccc( c(C)c3C2=O)C(=O)C4=C(O)CCCC4=O |
2-(4-methoxyphenyl)-1,4-dimethyl-5-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-indazol-3-one |
| 17607 |  A1L4B |
0 | C5 H8 N2 O4 | InChI=1S/C5H8N2O4/c6-3(5( 9)10)1-2-4(8)7-11/h3H,1-2 ,6H2,(H,9,10)/t3-/m0/s1; ITZUSDQPEVIPDK-VKHMYHEASA-N |
N[C@@H](CCC(=O)N=O)C(O)=O; N[CH](CCC(=O) N=O)C(O)=O; C(CC(=O)N=O)C(C(=O)O)N; C(CC (=O)N=O)[C@@H](C(=O)O)N |
(2S)-2-azanyl-5-nitroso-5-oxidanylidene-pentanoic acid |
| 17608 |  A1L4C CHEMBL5823273 |
1 | C27 H30 N8 O | InChI=1S/C27H30N8O/c1-2-3 5-17-24(26(32-35)20-4-3-1 0-28-16-20)25-9-11-29-27( 31-25)30-21-5-7-22(8-6-21 )33-12-14-34(15-13-33)23- 18-36-19-23/h3-11,16-17,2 3H,2,12-15,18-19H2,1H3,(H ,29,30,31); WDBAIPMUEUJXOZ-UHFFFAOYSA-N |
CCn1cc(c2ccnc(Nc3ccc(cc3)N4CCN(CC4)C5COC 5)n2)c(n1)c6cccnc6; CCn1cc(c(n1)c2cccnc2 )c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C6COC6 |
4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine |
| 17609 |  A1L4D CHEMBL22685 |
0 | C16 H15 N O3 | InChI=1S/C16H15NO3/c18-15 (13-9-5-2-6-10-13)17-14(1 6(19)20)11-12-7-3-1-4-8-1 2/h1-10,14H,11H2,(H,17,18 )(H,19,20)/t14-/m0/s1; NPKISZUVEBESJI-AWEZNQCLSA-N |
OC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccccc2; c1 ccc(cc1)C[C@@H](C(=O)O)NC(=O)c2ccccc2; c 1ccc(cc1)CC(C(=O)O)NC(=O)c2ccccc2; OC(=O )[CH](Cc1ccccc1)NC(=O)c2ccccc2 |
(2~{S})-2-benzamido-3-phenyl-propanoic acid |
| 17610 |  A1L4E |
4 | C13 H6 F7 N O2 | InChI=1S/C13H6F7NO2/c14-8 -7(13(18,19)20)9(15)11(17 )12(10(8)16)23-6-2-1-4(21 )3-5(6)22/h1-3,22H,21H2; XNVYOMVIMRCYCP-UHFFFAOYSA-N |
c1cc(c(cc1N)O)Oc2c(c(c(c(c2F)F)C(F)(F)F) F)F; Nc1ccc(Oc2c(F)c(F)c(c(F)c2F)C(F)(F) F)c(O)c1 |
5-azanyl-2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenoxy]phenol |
| 17611 |  A1L4F |
4 | C22 H23 F7 N2 O3 | InChI=1S/C22H23F7N2O3/c23 -17-16(22(27,28)29)18(24) 20(26)21(19(17)25)34-15-5 -4-13(12-14(15)32)30-6-2- 1-3-7-31-8-10-33-11-9-31/ h4-5,12,30,32H,1-3,6-11H2; XFQSUQKGMQJFSR-UHFFFAOYSA-N |
c1cc(c(cc1NCCCCCN2CCOCC2)O)Oc3c(c(c(c(c3 F)F)C(F)(F)F)F)F; Oc1cc(NCCCCCN2CCOCC2)c cc1Oc3c(F)c(F)c(c(F)c3F)C(F)(F)F |
5-(5-morpholin-4-ylpentylamino)-2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenoxy]phenol |
| 17612 |  A1L4H CHEMBL5201797 |
1 | C28 H39 N3 O3 | InChI=1S/C28H39N3O3/c1-20 -15-25(10-7-24(20)18-31-1 4-13-29-21(2)17-31)30(3)2 8(33)23-8-11-26(12-9-23)3 4-27-6-4-5-22(16-27)19-32 /h4-7,10,15-16,21,23,26,2 9,32H,8-9,11-14,17-19H2,1 -3H3/t21-,23-,26-/m0/s1; XCVUPJBVKKACQB-KJOQGJGQSA-N |
Cc1cc(ccc1CN2CCN[C@H](C2)C)N(C)C(=O)C3CC C(CC3)Oc4cccc(c4)CO; Cc1cc(ccc1CN2CCNC(C 2)C)N(C)C(=O)C3CCC(CC3)Oc4cccc(c4)CO; C[ C@H]1CN(CCN1)Cc2ccc(cc2C)N(C)C(=O)[C@@H] 3CC[C@H](CC3)Oc4cccc(CO)c4; C[CH]1CN(CCN 1)Cc2ccc(cc2C)N(C)C(=O)[CH]3CC[CH](CC3)O c4cccc(CO)c4 |
4-[3-(hydroxymethyl)phenoxy]-~{N}-methyl-~{N}-[3-methyl-4-[[(3~{S})-3-methylpiperazin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide; DS-3801b |
| 17613 |  A1L4O |
10 | C40 H56 O3 | InChI=1S/C40H56O3/c1-30(1 8-13-20-32(3)21-15-23-34( 5)25-27-38(42)40(9,10)43) 16-11-12-17-31(2)19-14-22 -33(4)24-26-37-35(6)28-36 (41)29-39(37,7)8/h11-27,3 6,38,41-43H,28-29H2,1-10H 3/b12-11+,18-13+,19-14+,2 1-15-,26-24+,27-25-,30-16 +,31-17+,32-20+,33-22+,34 -23+/t36-,38+/m1/s1; JJPMVSRTRMLHST-CNFSYYPWSA-N |
CC(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C [C@@H](O)CC1(C)C)\C=C\C=C(C)\C=C/C=C(C)/ C=C\[C@H](O)C(C)(C)O; CC1=C(C(CC(C1)O)(C )C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC= C(C)C=CC(C(C)(C)O)O)C)C; CC1=C(C(C[C@@H] (C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C )/C=C/C=C(\C)/C=C\C=C(/C)\C=C/[C@@H](C(C )(C)O)O)/C)/C; CC(=CC=CC=C(C)C=CC=C(C)C= CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC=C( C)C=C[CH](O)C(C)(C)O |
(3~{S},4~{Z},6~{E},8~{Z},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E})-2,6,10,14,19,23-hexamethyl-25-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaene-2,3-diol |
| 17614 |  A1L4S |
1 | C20 H22 N2 O5 | InChI=1S/C20H22N2O5/c1-4- 10-27-19-20(26)22(3)13-9- 8-12(11(2)17(13)21-19)18( 25)16-14(23)6-5-7-15(16)2 4/h8-9,23H,4-7,10H2,1-3H3; GBDNDUJBQJBAOR-UHFFFAOYSA-N |
CCCOC1=Nc2c(c(ccc2N(C1=O)C)C(=O)C3=C(CCC C3=O)O)C; CCCOC1=Nc2c(C)c(ccc2N(C)C1=O)C (=O)C3=C(O)CCCC3=O |
1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-propoxy-quinoxalin-2-one |
| 17615 |  A1L4U |
0 | C12 H17 N2 O10 P | InChI=1S/C12H17N2O10P/c1- 22-8(15)2-6-3-14(5-13-11( 6)18)12-10(17)9(16)7(24-1 2)4-23-25(19,20)21/h3,5,7 ,9-10,12,16-17H,2,4H2,1H3 ,(H2,19,20,21); FCZFXJJAOVKHCD-UHFFFAOYSA-N |
COC(=O)CC1=CN(C=NC1=O)[CH]2O[CH](CO[P](O )(O)=O)[CH](O)[CH]2O; COC(=O)CC1=CN(C=NC 1=O)C2C(C(C(O2)COP(=O)(O)O)O)O; COC(=O)C C1=CN(C=NC1=O)[C@@H]2O[C@H](CO[P](O)(O)= O)[C@@H](O)[C@H]2O; COC(=O)CC1=CN(C=NC1= O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O )O)O)O |
methyl 2-[1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-4-oxidanylidene-pyrimidin-5-yl]ethanoate; 5-methoxycarbonylmethyl-2-deoxouridine |
| 17616 |  A1L4V |
1 | C18 H17 N3 O6 S | InChI=1S/C18H17N3O6S/c1-1 8(2,17(25)26)20-15(23)13- 14(22)11-5-3-4-6-12(11)21 (16(13)24)27-7-10-8-28-9- 19-10/h3-6,8-9,22H,7H2,1- 2H3,(H,20,23)(H,25,26); ZSGOHVBQHOCPMG-UHFFFAOYSA-N |
CC(C)(NC(=O)C1=C(O)c2ccccc2N(OCc3cscn3)C 1=O)C(O)=O; CC(C)(C(=O)O)NC(=O)C1=C(c2cc ccc2N(C1=O)OCc3cscn3)O |
2-methyl-2-[[4-oxidanyl-2-oxidanylidene-1-(1,3-thiazol-4-ylmethoxy)quinolin-3-yl]carbonylamino]propanoic acid |
| 17617 |  A1L4W |
4 | C18 H22 N O5 P | InChI=1S/C18H22NO5P/c20-1 8(19(21)14-13-15-7-3-1-4- 8-15)12-11-17(25(22,23)24 )16-9-5-2-6-10-16/h1-10,1 7,21H,11-14H2,(H2,22,23,2 4)/t17-/m0/s1; WKIFTRBJCIJURK-KRWDZBQOSA-N |
c1ccc(cc1)CCN(C(=O)CCC(c2ccccc2)P(=O)(O) O)O; ON(CCc1ccccc1)C(=O)CC[C@@H](c2ccccc 2)[P](O)(O)=O; ON(CCc1ccccc1)C(=O)CC[CH] (c2ccccc2)[P](O)(O)=O; c1ccc(cc1)CCN(C(= O)CC[C@@H](c2ccccc2)P(=O)(O)O)O |
[(1~{S})-4-oxidanylidene-4-[oxidanyl(2-phenylethyl)amino]-1-phenyl-butyl]phosphonic acid |
| 17618 |  A1L4X CHEMBL5432347 |
3 | C26 H21 N5 O4 S | InChI=1S/C26H21N5O4S/c27- 22-13-12-20(25-7-4-14-35- 25)15-23(22)28-26(32)19-1 0-8-18(9-11-19)24-16-31(3 0-29-24)17-36(33,34)21-5- 2-1-3-6-21/h1-16H,17,27H2 ,(H,28,32); XCJIKXQBHOGKHC-UHFFFAOYSA-N |
c1ccc(cc1)S(=O)(=O)Cn2cc(nn2)c3ccc(cc3)C (=O)Nc4cc(ccc4N)c5ccco5; Nc1ccc(cc1NC(=O )c2ccc(cc2)c3cn(C[S](=O)(=O)c4ccccc4)nn3 )c5occc5 |
N-(2-amino-5-(furan-2-yl)phenyl)-4-(1-((phenylsulfonyl)methyl)-1H-1,2,3-triazol-4-yl)benzamid; ~{N}-[2-azanyl-5-(furan-2-yl)phenyl]-4-[2-(phenylsulfonylmethyl)-1,2$l^{4},3-triazacyclopenta-2,4-dien-4-yl]benzamide |
| 17619 |  A1L4Z |
1 | C11 H13 N2 O9 P | InChI=1S/C11H13N2O9P/c1-5 -9(14)7(3-13-8(10(15)16)1 1(17)18)6(2-12-5)4-22-23( 19,20)21/h2-3,8,14H,4H2,1 H3,(H,15,16)(H,17,18)(H2, 19,20,21)/b13-3+; NZWIGLKAYRQNJI-QLKAYGNNSA-N |
Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(C(=O)O)C(= O)O)O; Cc1ncc(CO[P](O)(O)=O)c(C=NC(C(O)= O)C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)/ C=N/C(C(=O)O)C(=O)O)O |
2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanedioic acid |
| 17620 |  A1L50 |
5 | C24 H18 N2 O6 S | InChI=1S/C24H18N2O6S/c27- 22-14-20(33(30,31)32)13-1 7-12-19(10-11-21(17)22)26 -24(29)16-6-8-18(9-7-16)2 5-23(28)15-4-2-1-3-5-15/h 1-14,27H,(H,25,28)(H,26,2 9)(H,30,31,32); JWCMUESZVPLKEQ-UHFFFAOYSA-N |
Oc1cc(cc2cc(NC(=O)c3ccc(NC(=O)c4ccccc4)c c3)ccc12)[S](O)(=O)=O; c1ccc(cc1)C(=O)Nc 2ccc(cc2)C(=O)Nc3ccc4c(c3)cc(cc4O)S(=O)( =O)O |
7-[(4-benzamidophenyl)carbonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid; NSC-37215 |
| 17621 |  A1L52 CHEMBL144472 |
4 | C20 H18 N2 O2 | InChI=1S/C20H18N2O2/c1-3- 22(4-2)13-9-10-16-18(11-1 3)24-19-12-17(23)14-7-5-6 -8-15(14)20(19)21-16/h5-1 2H,3-4H2,1-2H3; VOFUROIFQGPCGE-UHFFFAOYSA-N |
CCN(CC)c1ccc2c(c1)OC3=CC(=O)c4ccccc4C3=N 2; CCN(CC)c1ccc2N=C3C(=CC(=O)c4ccccc34)O c2c1 |
Nile Red; 9-(diethylamino)benzo[a]phenoxazin-5-one; Nile Blue A Oxazone |
| 17622 |  A1L53 |
2 | C29 H24 N8 O | InChI=1S/C29H24N8O/c1-2-2 2-23(19-11-18-5-3-4-6-21( 18)33-14-19)24-25(30)34-1 7-35-26(24)37(22)29-9-7-2 8(15-29,8-10-29)36-27(38) 20-12-31-16-32-13-20/h1,3 -6,11-14,16-17H,7-10,15H2 ,(H,36,38)(H2,30,34,35)/t 28-,29+; JTIOULFGKCXQAT-ISILISOKSA-N |
C#Cc1c(c2c(ncnc2n1C34CCC(C3)(CC4)NC(=O)c 5cncnc5)N)c6cc7ccccc7nc6; Nc1ncnc2n(c(C# C)c(c3cnc4ccccc4c3)c12)C56CCC(CC5)(C6)NC (=O)c7cncnc7 |
N-[4-[4-amino-6-ethynyl-5-(3-quinolyl)pyrrolo[2,3-d]pyrimidin-7-yl]norbornan-1-yl]pyrimidine-5-carboxamide; ~{N}-[4-(4-azanyl-6-ethynyl-5-quinolin-3-yl-pyrrolo[2,3-d]pyrimidin-7-yl)-1-bicyclo[2.2.1]heptanyl]pyrimidine-5-carboxamide |
| 17623 |  A1L54 CHEMBL1431610 |
1 | C16 H14 F3 N O2 | InChI=1S/C16H14F3NO2/c17- 16(18,19)12-8-13(21)22-15 -10-4-2-6-20-5-1-3-9(14(1 0)20)7-11(12)15/h7-8H,1-6 H2; VSSSHNJONFTXHS-UHFFFAOYSA-N |
c1c2c3c(c4c1C(=CC(=O)O4)C(F)(F)F)CCCN3CC C2; FC(F)(F)C1=CC(=O)Oc2c3CCCN4CCCc(cc12 )c34 |
Coumarin 153; 6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2(7),5,8-tetraen-4-one |
| 17624 |  A1L55 CHEMBL2024567 |
28 | C26 H34 O6 | InChI=1S/C26H34O6/c1-16(2 )26-14-20(30-22(29)15-27) 25(4,32-26)19-12-10-17(3) 23(19)24(26)31-21(28)13-1 1-18-8-6-5-7-9-18/h5-9,11 ,13,16-17,19-20,23-24,27H ,10,12,14-15H2,1-4H3/b13- 11+/t17-,19-,20-,23-,24+, 25+,26-/m1/s1; GACOFEKSDCOVMV-RRYXBOBMSA-N |
CC(C)[C]12C[CH](OC(=O)CO)[C](C)(O1)[CH]3 CC[CH](C)[CH]3[CH]2OC(=O)C=Cc4ccccc4; CC (C)[C@@]12C[C@@H](OC(=O)CO)[C@@](C)(O1)[ C@@H]3CC[C@@H](C)[C@H]3[C@@H]2OC(=O)\C=C \c4ccccc4; CC1CCC2C1C(C3(CC(C2(O3)C)OC(= O)CO)C(C)C)OC(=O)C=Cc4ccccc4; C[C@@H]1CC [C@@H]2[C@@H]1[C@@H]([C@@]3(C[C@H]([C@]2 (O3)C)OC(=O)CO)C(C)C)OC(=O)/C=C/c4ccccc4 |
(-)-englerin A |
| 17625 |  A1L57 |
2 | C26 H27 N5 O3 | InChI=1S/C26H27N5O3/c1-2- 34-24-12-10-22(17-28-24)3 0-26(33)23(11-5-18-3-4-18 )31-25(32)19-6-8-20(9-7-1 9)29-21-13-15-27-16-14-21 /h5-18,23H,2-4H2,1H3,(H,2 7,29)(H,30,33)(H,31,32)/b 11-5+/t23-/m0/s1; XICBBLMNLVMJEC-ZIGLLSCRSA-N |
CCOc1ccc(cn1)NC(=O)C(C=CC2CC2)NC(=O)c3cc c(cc3)Nc4ccncc4; CCOc1ccc(NC(=O)[CH](NC( =O)c2ccc(Nc3ccncc3)cc2)C=CC4CC4)cn1; CCO c1ccc(NC(=O)[C@@H](NC(=O)c2ccc(Nc3ccncc3 )cc2)/C=C/C4CC4)cn1; CCOc1ccc(cn1)NC(=O) [C@H](/C=C/C2CC2)NC(=O)c3ccc(cc3)Nc4ccnc c4 |
~{N}-[(~{E},2~{S})-4-cyclopropyl-1-[(6-ethoxypyridin-3-yl)amino]-1-oxidanylidene-but-3-en-2-yl]-4-(pyridin-4-ylamino)benzamide |
| 17626 |  A1L58 |
2 | C29 H36 N6 O3 | InChI=1S/C29H36N6O3/c1-3- 4-8-26(34-28(36)21-6-5-7- 23(19-21)32-22-11-15-30-1 6-12-22)29(37)33-24-9-10- 27(31-20-24)38-25-13-17-3 5(2)18-14-25/h5-7,9-12,15 -16,19-20,25-26H,3-4,8,13 -14,17-18H2,1-2H3,(H,30,3 2)(H,33,37)(H,34,36)/t26- /m0/s1; AGGUHEVKATZJAQ-SANMLTNESA-N |
CCCC[C@@H](C(=O)Nc1ccc(nc1)OC2CCN(CC2)C) NC(=O)c3cccc(c3)Nc4ccncc4; CCCC[C@H](NC( =O)c1cccc(Nc2ccncc2)c1)C(=O)Nc3ccc(OC4CC N(C)CC4)nc3; CCCCC(C(=O)Nc1ccc(nc1)OC2CC N(CC2)C)NC(=O)c3cccc(c3)Nc4ccncc4; CCCC[ CH](NC(=O)c1cccc(Nc2ccncc2)c1)C(=O)Nc3cc c(OC4CCN(C)CC4)nc3 |
~{N}-[(2~{S})-1-[[6-(1-methylpiperidin-4-yl)oxypyridin-3-yl]amino]-1-oxidanylidene-hexan-2-yl]-3-(pyridin-4-ylamino)benzamide |
| 17627 |  A1L59 |
6 | C15 H15 F3 N6 O4 S | InChI=1S/C15H15F3N6O4S/c1 -7(2)29(26,27)6-11-21-22- 12-9(4-5-10(24(11)12)15(1 6,17)18)13(25)19-14-23-20 -8(3)28-14/h4-5,7H,6H2,1- 3H3,(H,19,23,25); ODXFUPRPCAYZLK-UHFFFAOYSA-N |
CC(C)[S](=O)(=O)Cc1nnc2n1c(ccc2C(=O)Nc3o c(C)nn3)C(F)(F)F; Cc1nnc(o1)NC(=O)c2ccc( n3c2nnc3CS(=O)(=O)C(C)C)C(F)(F)F |
iptriazopyrid; ~{N}-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide |
| 17628 |  A1L5I CHEMBL57517 |
32 | C39 H72 O5 | InChI=1S/C39H72O5/c1-3-5- 7-9-11-13-15-17-19-21-23- 25-27-29-31-33-38(41)43-3 6-37(35-40)44-39(42)34-32 -30-28-26-24-22-20-18-16- 14-12-10-8-6-4-2/h17-20,3 7,40H,3-16,21-36H2,1-2H3/ b19-17?,20-18+/t37-/m0/s1; AFSHUZFNMVJNKX-SKNMGDSLSA-N |
CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCC CCCC=CCCCCCCCC; CCCCCCCCC=CCCCCCCCC(=O)O C[CH](CO)OC(=O)CCCCCCCC=CCCCCCCCC; CCCCC CCCC=CCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC CC\C=C\CCCCCCCC; CCCCCCCCC=CCCCCCCCC(=O) OC[C@H](CO)OC(=O)CCCCCCC/C=C/CCCCCCCC |
[(2~{S})-2-[(~{E})-octadec-9-enoyl]oxy-3-oxidanyl-propyl] octadec-9-enoate |
| 17629 |  A1L5O CHEMBL2347953 |
1 | C18 H24 N2 O | InChI=1S/C18H24N2O/c1-12- 9-13(2)15-11-17(20-16(15) 10-12)18(21)19-14-7-5-3-4 -6-8-14/h9-11,14,20H,3-8H 2,1-2H3,(H,19,21); ANRDRZQBFPDAJD-UHFFFAOYSA-N |
Cc1cc(c2cc([nH]c2c1)C(=O)NC3CCCCCC3)C; C c1cc(C)c2cc([nH]c2c1)C(=O)NC3CCCCCC3 |
N-cycloheptyl-4,6-dimethyl-1H-indole-2-carboxamide |
| 17630 |  A1L5P CHEMBL4576320 |
8 | C22 H25 N3 O2 S | InChI=1S/C22H25N3O2S/c26- 21(20-14-15-6-2-1-3-9-19( 15)28-20)24-12-10-16(11-1 3-24)25-18-8-5-4-7-17(18) 23-22(25)27/h4-5,7-8,14,1 6H,1-3,6,9-13H2,(H,23,27); AXWRAIIIBRLXBP-UHFFFAOYSA-N |
O=C1Nc2ccccc2N1C3CCN(CC3)C(=O)c4sc5CCCCC c5c4; c1ccc2c(c1)NC(=O)N2C3CCN(CC3)C(=O) c4cc5c(s4)CCCCC5 |
3-[1-(5,6,7,8-tetrahydro-4~{H}-cyclohepta[b]thiophen-2-ylcarbonyl)piperidin-4-yl]-1~{H}-benzimidazol-2-one |
| 17631 |  A1L5Q CHEMBL4085233 |
8 | C22 H23 F3 N4 O3 | InChI=1S/C22H23F3N4O3/c1- 3-32-21(31)28-10-8-14(9-1 1-28)17-12-18(30)29-20(26 -17)19(13(2)27-29)15-4-6- 16(7-5-15)22(23,24)25/h4- 7,12,14,30H,3,8-11H2,1-2H 3; JCCIFATWQJZIDU-UHFFFAOYSA-N |
CCOC(=O)N1CCC(CC1)c2cc(n3c(n2)c(c(n3)C)c 4ccc(cc4)C(F)(F)F)O; CCOC(=O)N1CCC(CC1)c 2cc(O)n3nc(C)c(c4ccc(cc4)C(F)(F)F)c3n2 |
ethyl 4-[2-methyl-7-oxidanyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate |
| 17632 |  A1L5R |
16 | C16 H14 O5 | InChI=1S/C16H14O5/c1-21-1 6-11(5-9-14(19)15(16)20)4 -8-13(18)10-2-6-12(17)7-3 -10/h2-9,17,19-20H,1H3/b8 -4-; DRDRYGIIYOPBBZ-YWEYNIOJSA-N |
COc1c(ccc(c1O)O)C=CC(=O)c2ccc(cc2)O; COc 1c(O)c(O)ccc1C=CC(=O)c2ccc(O)cc2; COc1c( O)c(O)ccc1\C=C/C(=O)c2ccc(O)cc2 |
1-(4-hydroxyphenyl)-3-[2-methoxy-3,4-bis(oxidanyl)phenyl]prop-2-en-1-one; Licochalcone B |
| 17633 |  A1L5T |
1 | C12 H10 F N3 O S | InChI=1S/C12H10FN3OS/c13- 7-3-1-6(2-4-7)8-5-9(17)15 -11-10(8)18-12(14)16-11/h 1-4,8H,5H2,(H2,14,16)(H,1 5,17)/t8-/m0/s1; OFXLNTLGSXLVSA-QMMMGPOBSA-N |
Nc1sc2[CH](CC(=O)Nc2n1)c3ccc(F)cc3; c1cc (ccc1C2CC(=O)Nc3c2sc(n3)N)F; Nc1sc2[C@@H ](CC(=O)Nc2n1)c3ccc(F)cc3; c1cc(ccc1[C@@ H]2CC(=O)Nc3c2sc(n3)N)F |
(7~{S})-2-azanyl-7-(4-fluorophenyl)-6,7-dihydro-4~{H}-[1,3]thiazolo[4,5-b]pyridin-5-one |
| 17634 |  A1L5V |
4 | C22 H21 F N6 O5 | InChI=1S/C22H21FN6O5/c1-2 8-18(31)5-3-12-2-4-15(23) 14(19(12)28)6-7-24-8-13-1 0-29(22(32)34-13)16-9-25- 21-20(26-16)27-17(30)11-3 3-21/h2-5,9,13,24H,6-8,10 -11H2,1H3,(H,26,27,30); MKICNOUBIXXGPQ-UHFFFAOYSA-N |
CN1c2c(ccc(c2CCNC[C@H]3CN(C(=O)O3)c4cnc5 c(n4)NC(=O)CO5)F)C=CC1=O; CN1C(=O)C=Cc2c cc(F)c(CCNC[C@H]3CN(C(=O)O3)c4cnc5OCC(=O )Nc5n4)c12; CN1c2c(ccc(c2CCNCC3CN(C(=O)O 3)c4cnc5c(n4)NC(=O)CO5)F)C=CC1=O; CN1C(= O)C=Cc2ccc(F)c(CCNC[CH]3CN(C(=O)O3)c4cnc 5OCC(=O)Nc5n4)c12 |
6-[(5S)-5-[[[2-(7-Fluoro-1,2-dihydro-1-methyl-2-oxo-8-quinolinyl)ethyl]amino]methyl]-2-oxo-3-oxazolidinyl]-2H-pyrazino[2,3-b]-1,4-oxazin-3(4H)-one; BWC0977 |
| 17635 |  A1L5X |
3 | C20 H15 N O8 S2 | InChI=1S/C20H15NO8S2/c22- 19-9-15(30(24,25)26)7-11- 5-13(1-3-17(11)19)21-14-2 -4-18-12(6-14)8-16(10-20( 18)23)31(27,28)29/h1-10,2 1-23H,(H,24,25,26)(H,27,2 8,29); BQVLLTHCZQAJNH-UHFFFAOYSA-N |
Oc1cc(cc2cc(Nc3ccc4c(O)cc(cc4c3)[S](O)(= O)=O)ccc12)[S](O)(=O)=O; c1cc2c(cc1Nc3cc c4c(c3)cc(cc4O)S(=O)(=O)O)cc(cc2O)S(=O)( =O)O |
Rhoduline Acid; NSC-37203 |
| 17636 |  A1L5Z |
3 | C21 H16 N2 O9 S2 | InChI=1S/C21H16N2O9S2/c24 -19-9-15(33(27,28)29)5-11 -1-3-13(7-17(11)19)22-21( 26)23-14-4-2-12-6-16(34(3 0,31)32)10-20(25)18(12)8- 14/h1-10,24-25H,(H2,22,23 ,26)(H,27,28,29)(H,30,31, 32); XUMPVMRAPYSHRQ-UHFFFAOYSA-N |
Oc1cc(cc2ccc(NC(=O)Nc3ccc4cc(cc(O)c4c3)[ S](O)(=O)=O)cc12)[S](O)(=O)=O; c1cc(cc2c 1cc(cc2O)S(=O)(=O)O)NC(=O)Nc3ccc4cc(cc(c 4c3)O)S(=O)(=O)O |
4-oxidanyl-6-[(8-oxidanyl-6-sulfo-naphthalen-2-yl)carbamoylamino]naphthalene-2-sulfonic acid; NSC-37204 |
| 17637 |  A1L60 CHEMBL47050 DB13791 |
4 | C28 H27 Cl F5 N O | InChI=1S/C28H27ClF5NO/c29 -26-12-7-21(18-25(26)28(3 2,33)34)27(36)13-16-35(17 -14-27)15-1-2-24(19-3-8-2 2(30)9-4-19)20-5-10-23(31 )11-6-20/h3-12,18,24,36H, 1-2,13-17H2; MDLAAYDRRZXJIF-UHFFFAOYSA-N |
c1cc(ccc1C(CCCN2CCC(CC2)(c3ccc(c(c3)C(F) (F)F)Cl)O)c4ccc(cc4)F)F; OC1(CCN(CCCC(c2 ccc(F)cc2)c3ccc(F)cc3)CC1)c4ccc(Cl)c(c4) C(F)(F)F |
Penfluridol; DB13791 |
| 17638 |  A1L61 CHEMBL561643 |
0 | C24 H24 O6 | InChI=1S/C24H24O6/c1-12(2 )6-7-14-19-17(10-15(25)23 (14)28-5)29-18-11-16-13(8 -9-24(3,4)30-16)21(26)20( 18)22(19)27/h6,8-11,25-26 H,7H2,1-5H3; HQWHKELJHUFLGD-UHFFFAOYSA-N |
COc1c(O)cc2Oc3cc4OC(C)(C)C=Cc4c(O)c3C(=O )c2c1CC=C(C)C; CC(=CCc1c2c(cc(c1OC)O)Oc3 cc4c(c(c3C2=O)O)C=CC(O4)(C)C)C |
8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5,9-bis(oxidanyl)pyrano[3,2-b]xanthen-6-one |
| 17639 |  A1L62 CHEMBL4650214 DB18245 |
1 | C31 H38 F2 N8 O | InChI=1S/C31H38F2N8O/c1-3 1(2,20-22-8-4-5-9-23(22)2 1-12-14-39(3)15-13-21)38- 28-35-29(40-16-18-42-19-1 7-40)37-30(36-28)41-25-11 -7-6-10-24(25)34-27(41)26 (32)33/h4-11,21,26H,12-20 H2,1-3H3,(H,35,36,37,38); WPFUFWIHMYZXSF-UHFFFAOYSA-N |
CC(C)(Cc1ccccc1C2CCN(CC2)C)Nc3nc(nc(n3)N 4CCOCC4)n5c6ccccc6nc5C(F)F; CN1CCC(CC1)c 2ccccc2CC(C)(C)Nc3nc(nc(n3)n4c(nc5ccccc4 5)C(F)F)N6CCOCC6 |
Zandelisib; 4-[2-[bis(fluoranyl)methyl]benzimidazol-1-yl]-~{N}-[2-methyl-1-[2-(1-methylpiperidin-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine; ME-401; 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1-methylpiperidin-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine |
| 17640 |  A1L64 CHEMBL407116 |
2 | C29 H42 O4 | InChI=1S/C29H42O4/c1-20(2 )12-9-13-21(3)14-10-15-22 (4)16-11-17-23(5)18-19-25 -24(6)26(30)28(32-7)29(33 -8)27(25)31/h12,14,16,18H ,9-11,13,15,17,19H2,1-8H3 /b21-14+,22-16+,23-18+; XGCJRRDNIMSYNC-INVBOZNNSA-N |
COC1=C(OC)C(=O)C(=C(C)C1=O)C\C=C(/C)CC\C =C(/C)CC\C=C(/C)CCC=C(C)C; CC1=C(C(=O)C( =C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC =C(C)C; CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C (\C)/CCC=C(C)CC/C=C(\C)/CCC=C(C)C; COC1= C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)CCC =C(C)CCC=C(C)C |
Coenzyme Q4; Ubiquinone-4; 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]cyclohexa-2,5-diene-1,4-dione |
| 17641 |  A1L65 |
1 | C36 H37 F N6 O3 | InChI=1S/C36H37FN6O3/c1-2 0-29(37)15-30-28(17-39-42 -30)31(20)32-26(22-7-8-22 )14-27-33(34(32)45-19-21- 5-3-2-4-6-21)40-36(46-25- 9-11-44-12-10-25)41-35(27 )43-18-23-13-24(43)16-38- 23/h2-6,14-15,17,22-25,38 H,7-13,16,18-19H2,1H3,(H, 39,42)/t23-,24-/m0/s1; UVXSJHUAILWCNQ-ZEQRLZLVSA-N |
Cc1c(cc2c(c1c3c(cc4c(c3OCc5ccccc5)nc(nc4 N6CC7CC6CN7)OC8CCOCC8)C9CC9)cn[nH]2)F; C c1c(F)cc2[nH]ncc2c1c3c(cc4c(nc(OC5CCOCC5 )nc4c3OCc6ccccc6)N7C[CH]8C[CH]7CN8)C9CC9 ; Cc1c(cc2c(c1c3c(cc4c(c3OCc5ccccc5)nc(n c4N6C[C@@H]7C[C@H]6CN7)OC8CCOCC8)C9CC9)c n[nH]2)F; Cc1c(F)cc2[nH]ncc2c1c3c(cc4c(n c(OC5CCOCC5)nc4c3OCc6ccccc6)N7C[C@@H]8C[ C@H]7CN8)C9CC9 |
6-cyclopropyl-4-[(1~{S},4~{S})-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoranyl-5-methyl-1~{H}-indazol-4-yl)-2-(oxan-4-yloxy)-8-phenylmethoxy-quinazoline |
| 17642 |  A1L66 DB21670 |
8 | C60 H65 F N12 O7 S | InChI=1S/C60H65FN12O7S/c1 -31(2)54(59(77)72-26-41(7 5)20-50(72)58(76)65-49(28 -74)37-11-13-38(14-12-37) 56-33(4)63-30-81-56)73-27 -48(69-70-73)36-7-5-34(6- 8-36)29-79-55-52(51-32(3) 46(61)22-47-45(51)24-64-6 8-47)43(35-9-10-35)21-44- 53(55)66-60(80-42-15-17-7 8-18-16-42)67-57(44)71-25 -39-19-40(71)23-62-39/h5- 8,11-14,21-22,24,27,30-31 ,35,39-42,49-50,54,62,74- 75H,9-10,15-20,23,25-26,2 8-29H2,1-4H3,(H,64,68)(H, 65,76)/t39-,40-,41+,49-,5 0-,54-/m0/s1; XXWMEQMGQNHRAF-WFJRNIGCSA-N |
Cc1c(cc2c(c1c3c(cc4c(c3OCc5ccc(cc5)c6cn( nn6)C(C(C)C)C(=O)N7CC(CC7C(=O)NC(CO)c8cc c(cc8)c9c(ncs9)C)O)nc(nc4N1CC3CC1CN3)OC1 CCOCC1)C1CC1)cn[nH]2)F; CC(C)[C@H](n1cc( nn1)c2ccc(COc3c4nc(OC5CCOCC5)nc(N6C[C@@H ]7C[C@H]6CN7)c4cc(C8CC8)c3c9c(C)c(F)cc%1 0[nH]ncc9%10)cc2)C(=O)N%11C[C@H](O)C[C@H ]%11C(=O)N[C@@H](CO)c%12ccc(cc%12)c%13sc nc%13C; CC(C)[CH](n1cc(nn1)c2ccc(COc3c4n c(OC5CCOCC5)nc(N6C[CH]7C[CH]6CN7)c4cc(C8 CC8)c3c9c(C)c(F)cc%10[nH]ncc9%10)cc2)C(= O)N%11C[CH](O)C[CH]%11C(=O)N[CH](CO)c%12 ccc(cc%12)c%13scnc%13C; Cc1c(cc2c(c1c3c( cc4c(c3OCc5ccc(cc5)c6cn(nn6)[C@@H](C(C)C )C(=O)N7C[C@@H](C[C@H]7C(=O)N[C@@H](CO)c 8ccc(cc8)c9c(ncs9)C)O)nc(nc4N1C[C@@H]3C[ C@H]1CN3)OC1CCOCC1)C1CC1)cn[nH]2)F |
ASP3082; (2~{S},4~{R})-1-[(2~{S})-2-[4-[4-[[6-cyclopropyl-4-[(1~{S},4~{S})-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoranyl-5-methyl-1~{H}-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]phenyl]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-~{N}-[(1~{R})-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide; KRAS G12D inhibitor 17; Setidegrasib |
| 17643 |  A1L67 |
1 | C11 H13 N5 O4 | InChI=1S/C11H13N5O4/c1-5- 7(18)8(19)11(2-17,20-5)16 -4-15-6-9(12)13-3-14-10(6 )16/h3-4,7-8,17-19H,1-2H2 ,(H2,12,13,14)/t7-,8+,11+ /m0/s1; UZSSGAOAYPICBZ-VAOFZXAKSA-N |
C=C1C(C(C(O1)(CO)n2cnc3c2ncnc3N)O)O; Nc1 ncnc2n(cnc12)[C@]3(CO)OC(=C)[C@H](O)[C@H ]3O; C=C1[C@@H]([C@H]([C@](O1)(CO)n2cnc3 c2ncnc3N)O)O; Nc1ncnc2n(cnc12)[C]3(CO)OC (=C)[CH](O)[CH]3O |
(2~{R},3~{R},4~{R})-2-(6-aminopurin-9-yl)-2-(hydroxymethyl)-5-methylidene-oxolane-3,4-diol |
| 17644 |  A1L68 |
4 | C30 H46 O3 S | InChI=1S/C30H46O3S/c1-25( 2)21-8-11-30(7)23(28(21,5 )10-9-22(25)32)20(31)16-1 8-19-17-27(4,24(33)34)13- 12-26(19,3)14-15-29(18,30 )6/h16,19,21-23,32H,8-15, 17H2,1-7H3,(H,33,34)/t19- ,21-,22-,23+,26+,27-,28+, 29+,30+/m0/s1; SOGZTSGQAUOWBG-ZEYMVYSOSA-N |
C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@ @]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2 )C)C)(C)C)O)C)(C)C(=O)S; CC1(C)[C@@H](O) CC[C@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C= C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C (S)=O; CC1(C)[CH](O)CC[C]2(C)[CH]1CC[C]3 (C)[CH]2C(=O)C=C4[CH]5C[C](C)(CC[C]5(C)C C[C]34C)C(S)=O; CC1(C2CCC3(C(C2(CCC1O)C) C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)S)C)C) C)C |
(2~{S},4~{a}~{S},6~{a}~{R},6~{a}~{S},6~{b}~{R},8~{a}~{R},10~{S},12~{a}~{R},14~{b}~{R})-2,4~{a},6~{a},6~{b},9,9,12~{a}-heptamethyl-10-oxidanyl-13-oxidanylidene-3,4,5,6,6~{a},7,8,8~{a},10,11,12,14~{b}-dodecahydro-1~{H}-picene-2-carbothioic S-acid |
| 17645 |  A1L69 |
1 | C16 H34 N O5 P | InChI=1S/C16H34NO5P/c1-2- 3-4-5-6-7-8-9-10-11-12-13 -16(18)15(17)14-22-23(19, 20)21/h12-13,15-16,18H,2- 11,14,17H2,1H3,(H2,19,20, 21)/b13-12-/t15-,16+/m1/s 1; IQHNJQKWEMCXAD-AXUOUDRWSA-N |
CCCCCCCCCCC/C=C\[C@@H]([C@@H](COP(=O)(O) O)N)O; CCCCCCCCCCC\C=C/[C@H](O)[C@H](N)C O[P](O)(O)=O; CCCCCCCCCCCC=CC(C(COP(=O)( O)O)N)O; CCCCCCCCCCCC=C[CH](O)[CH](N)CO[ P](O)(O)=O |
[(~{Z},2~{R},3~{S})-2-azanyl-3-oxidanyl-hexadec-4-enyl] dihydrogen phosphate |
| 17646 |  A1L6A |
1 | C16 H26 N O6 P S | InChI=1S/C16H26NO6PS/c1-3 -4-5-6-10-23-14-9-7-8-13( 11-14)16(24(20,21)22)25-1 2-15(18)17(2)19/h7-9,11,1 6,19H,3-6,10,12H2,1-2H3,( H2,20,21,22)/t16-/m0/s1; YZIQGTUECDVLCI-INIZCTEOSA-N |
CCCCCCOc1cccc(c1)[C@H](SCC(=O)N(C)O)[P]( O)(O)=O; CCCCCCOc1cccc(c1)[C@@H](P(=O)(O )O)SCC(=O)N(C)O; CCCCCCOc1cccc(c1)C(P(=O )(O)O)SCC(=O)N(C)O; CCCCCCOc1cccc(c1)[CH ](SCC(=O)N(C)O)[P](O)(O)=O |
[(~{S})-(3-hexoxyphenyl)-[2-[methyl(oxidanyl)amino]-2-oxidanylidene-ethyl]sulfanyl-methyl]phosphonic acid |
| 17647 |  A1L6B CHEMBL5314518 DB18744 |
2 | C31 H26 Cl F4 N7 O2 | InChI=1S/C31H26ClF4N7O2/c 1-5-19(44)41-8-10-42(11-9 -41)29-16-12-18(32)27(20- 21(33)22(34)23(35)24(36)2 5(20)38)40-30(16)43(31(45 )17(29)13-37)28-15(4)6-7- 39-26(28)14(2)3/h5-7,12,1 4H,1,8-11,38H2,2-4H3; QRRJEUIQLZNPIO-UHFFFAOYSA-N |
Cc1ccnc(c1N2c3c(cc(c(n3)c4c(c(c(c(c4F)F) F)F)N)Cl)C(=C(C2=O)C#N)N5CCN(CC5)C(=O)C= C)C(C)C; CC(C)c1nccc(C)c1N2C(=O)C(=C(N3C CN(CC3)C(=O)C=C)c4cc(Cl)c(nc24)c5c(N)c(F )c(F)c(F)c5F)C#N |
Glecirasib bound form; 7-[2-azanyl-3,4,5,6-tetrakis(fluoranyl)phenyl]-6-chloranyl-1-(4-methyl-2-propan-2-yl-pyridin-3-yl)-2-oxidanylidene-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile |
| 17648 |  A1L6C CHEMBL4859820 |
1 | C31 H27 Cl3 F N7 O2 | InChI=1S/C31H27Cl3FN7O2/c 1-5-22(43)40-8-10-41(11-9 -40)29-17-12-21(34)27(23- 24(35)19(32)13-20(33)25(2 3)37)39-30(17)42(31(44)18 (29)14-36)28-16(4)6-7-38- 26(28)15(2)3/h5-7,12-13,1 5H,1,8-11,37H2,2-4H3; IBNSEKBMYPAXNN-UHFFFAOYSA-N |
Cc1ccnc(c1N2c3c(cc(c(n3)c4c(c(cc(c4F)Cl) Cl)N)Cl)C(=C(C2=O)C#N)N5CCN(CC5)C(=O)C=C )C(C)C; CC(C)c1nccc(C)c1N2C(=O)C(=C(N3CC N(CC3)C(=O)C=C)c4cc(Cl)c(nc24)c5c(N)c(Cl )cc(Cl)c5F)C#N |
7-[2-azanyl-3,5-bis(chloranyl)-6-fluoranyl-phenyl]-6-chloranyl-1-(4-methyl-2-propan-2-yl-pyridin-3-yl)-2-oxidanylidene-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile |
| 17649 |  A1L6D |
4 | C42 H58 O6 | InChI=1S/C42H58O6/c1-29(1 8-14-19-31(3)22-23-37-39( 6,7)27-35(48-33(5)43)28-4 2(37,11)47)16-12-13-17-30 (2)20-15-21-32(4)36(45)24 -38(46)41(10)26-34(44)25- 40(41,8)9/h12-22,24,34-35 ,44-45,47H,25-28H2,1-11H3 /b13-12+,18-14+,20-15+,29 -16+,30-17+,31-19+,32-21+ ,36-24-/t23-,34-,35+,41-, 42-/m0/s1; LUDSIBUOXLKVSG-BDVOIICUSA-N |
CC(=O)O[C@@H]1CC(C)(C)[C](=[C@@]=[CH]\C( C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C( O)=C\C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)[C@@ ](C)(O)C1; CC(=CC=CC=C(C)C=CC=C(C)C(=CC( =O)C1(CC(CC1(C)C)O)C)O)C=CC=C(C)C=C=C2C( CC(CC2(C)O)OC(=O)C)(C)C; C/C(=C\C=C\C=C( /C)\C=C\C=C(/C)\C(=C\C(=O)[C@@]1(C[C@H]( CC1(C)C)O)C)\O)/C=C/C=C(\C)/C=C=C2[C@@]( C[C@@H](CC2(C)C)OC(=O)C)(C)O; CC(=O)O[CH ]1CC(C)(C)[C](=[C]=[CH]C(C)=CC=CC(C)=CC= CC=C(C)C=CC=C(C)C(O)=CC(=O)[C]2(C)C[CH]( O)CC2(C)C)[C](C)(O)C1 |
[(1~{R},5~{S})-3,3,5-trimethyl-5-oxidanyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{Z})-3,7,12,16-tetramethyl-17-oxidanyl-19-oxidanylidene-19-[(1~{R},4~{S})-1,2,2-trimethyl-4-oxidanyl-cyclopentyl]nonadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]cyclohexyl] ethanoate |
| 17650 |  A1L6I |
1 | C28 H33 F N8 O S | InChI=1S/C28H33FN8OS/c1-5 -35(6-2)28-32-22-9-7-19(1 5-23(22)39-28)25-21(29)17 -31-27(34-25)33-24-10-8-2 0(16-30-24)26(38)37-13-11 -36(12-14-37)18(3)4/h7-10 ,15-18H,5-6,11-14H2,1-4H3 ,(H,30,31,33,34); QXLHPZGOJNRMDZ-UHFFFAOYSA-N |
CCN(CC)c1sc2cc(ccc2n1)c3nc(Nc4ccc(cn4)C( =O)N5CCN(CC5)C(C)C)ncc3F; CCN(CC)c1nc2cc c(cc2s1)c3c(cnc(n3)Nc4ccc(cn4)C(=O)N5CCN (CC5)C(C)C)F |
[6-[[4-[2-(diethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone |
| 17651 |  A1L6J |
2 | C33 H25 F N8 O4 | InChI=1S/C33H25FN8O4/c1-4 0-16-20(15-38-40)29-27(19 -4-3-5-22(35)14-19)28-31( 36-18-37-32(28)46-29)45-2 5-12-8-23(9-13-25)39-30(4 3)26-17-41(2)42(33(26)44) 24-10-6-21(34)7-11-24/h3- 18H,35H2,1-2H3,(H,39,43); ROQFVBHLGRGANE-UHFFFAOYSA-N |
Cn1cc(cn1)c2oc3ncnc(Oc4ccc(NC(=O)C5=CN(C )N(C5=O)c6ccc(F)cc6)cc4)c3c2c7cccc(N)c7; Cn1cc(cn1)c2c(c3c(o2)ncnc3Oc4ccc(cc4)NC (=O)C5=CN(N(C5=O)c6ccc(cc6)F)C)c7cccc(c7 )N |
~{N}-[4-[5-(3-aminophenyl)-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-(4-fluorophenyl)-1-methyl-3-oxidanylidene-pyrazole-4-carboxamide |
| 17652 |  A1L6K |
2 | C36 H31 F N8 O4 | InChI=1S/C36H31FN8O4/c1-4 2(2)18-22-6-5-7-23(16-22) 30-31-34(38-21-39-35(31)4 9-32(30)24-17-40-43(3)19- 24)48-28-14-10-26(11-15-2 8)41-33(46)29-20-44(4)45( 36(29)47)27-12-8-25(37)9- 13-27/h5-17,19-21H,18H2,1 -4H3,(H,41,46); WOAZQVRBSBTOAN-UHFFFAOYSA-N |
CN(C)Cc1cccc(c1)c2c(oc3ncnc(Oc4ccc(NC(=O )C5=CN(C)N(C5=O)c6ccc(F)cc6)cc4)c23)c7cn n(C)c7; Cn1cc(cn1)c2c(c3c(o2)ncnc3Oc4ccc (cc4)NC(=O)C5=CN(N(C5=O)c6ccc(cc6)F)C)c7 cccc(c7)CN(C)C |
~{N}-[4-[5-[3-[(dimethylamino)methyl]phenyl]-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-(4-fluorophenyl)-1-methyl-3-oxidanylidene-pyrazole-4-carboxamide |
| 17653 |  A1L6L CHEMBL5558836 |
2 | C34 H24 F N7 O4 | InChI=1S/C34H24FN7O4/c1-4 1-18-21(17-39-41)30-28(20 -4-2-5-23(36)16-20)29-32( 37-19-38-33(29)46-30)45-2 6-13-9-24(10-14-26)40-31( 43)27-6-3-15-42(34(27)44) 25-11-7-22(35)8-12-25/h2- 19H,36H2,1H3,(H,40,43); NCGOROUZONSZHC-UHFFFAOYSA-N |
Cn1cc(cn1)c2oc3ncnc(Oc4ccc(NC(=O)C5=CC=C N(C5=O)c6ccc(F)cc6)cc4)c3c2c7cccc(N)c7; Cn1cc(cn1)c2c(c3c(o2)ncnc3Oc4ccc(cc4)NC( =O)C5=CC=CN(C5=O)c6ccc(cc6)F)c7cccc(c7)N |
~{N}-[4-[5-(3-aminophenyl)-6-(1-methylpyrazol-4-yl)furo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxidanylidene-pyridine-3-carboxamide |
| 17654 |  A1L6M |
7 | C48 H62 N4 O8 | InChI=1S/C48H62N4O8/c1-9- 33-31(7)47(59)52-39(33)23 -37-30(6)34(19-21-44(55)5 6)40(49-37)25-41-35(20-22 -45(57)58)36(26-53)42(50- 41)24-38-32(8)46(48(60)51 -38)43(54)18-12-17-29(5)1 6-11-15-28(4)14-10-13-27( 2)3/h13,15,17,23-25,43,49 ,53-54H,9-12,14,16,18-22, 26H2,1-8H3,(H,51,60)(H,52 ,59)(H,55,56)(H,57,58)/b2 8-15-,29-17+,38-24-,39-23 -,41-25-/t43-/m0/s1; XIZXJTXQUCTMIQ-OYUVAKGFSA-N |
CCC/1=C(C)C(=O)NC/1=C/c2[nH]c(\C=C3/N=C( \C=C4/NC(=O)C(=C4C)[C@@H](O)CC\C=C(/C)CC /C=C(/C)CCC=C(C)C)C(=C3CCC(O)=O)CO)c(CCC (O)=O)c2C; CCC\1=C(C(=O)N/C1=C\c2c(c(c([ nH]2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O) N4)[C@H](CC/C=C(\C)/CC/C=C(/C)\CCC=C(C)C )O)C)CO)CCC(=O)O)CCC(=O)O)C)C; CCC1=C(C( =O)NC1=Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)C=C 4C(=C(C(=O)N4)C(CCC=C(C)CCC=C(C)CCC=C(C) C)O)C)CO)CCC(=O)O)CCC(=O)O)C)C; CCC1=C(C )C(=O)NC1=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(= C4C)[CH](O)CCC=C(C)CCC=C(C)CCC=C(C)C)C(= C3CCC(O)=O)CO)c(CCC(O)=O)c2C |
3-[5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[4-(hydroxymethyl)-3-(3-hydroxy-3-oxopropyl)-5-[(~{Z})-[3-methyl-5-oxidanylidene-4-[(1~{S},4~{E},8~{Z})-5,9,13-trimethyl-1-oxidanyl-tetradeca-4,8,12-trienyl]pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid |
| 17655 |  A1L6N CHEMBL5076204 |
0 | C25 H26 N4 O4 | InChI=1S/C25H26N4O4/c30-1 5-19(13-18-10-11-26-23(18 )31)27-24(32)21(12-16-6-2 -1-3-7-16)29-25(33)22-14- 17-8-4-5-9-20(17)28-22/h1 -9,14-15,18-19,21,28H,10- 13H2,(H,26,31)(H,27,32)(H ,29,33)/t18-,19-,21-/m0/s 1; BRFDPJYHCJVJEP-ZJOUEHCJSA-N |
O=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2cccc c2)NC(=O)c3[nH]c4ccccc4c3; O=C[C@H](C[C@ @H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O) c3[nH]c4ccccc4c3; c1ccc(cc1)C[C@@H](C(=O )N[C@@H](C[C@@H]2CCNC2=O)C=O)NC(=O)c3cc4 ccccc4[nH]3; c1ccc(cc1)CC(C(=O)NC(CC2CCN C2=O)C=O)NC(=O)c3cc4ccccc4[nH]3 |
~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]-1~{H}-indole-2-carboxamide |
| 17656 |  A1L6P |
5 | C22 H40 O5 | InChI=1S/C22H40O5/c1-7-8- 9-10-18(23)25-15-16(2)19( 24)22(6)12-11-17(26-22)21 (5)14-13-20(3,4)27-21/h16 -17,19,24H,7-15H2,1-6H3/t 16-,17+,19+,21+,22+/m1/s1; WEWKCWFBYOEHQB-ZUCBFVJTSA-N |
CCCCCC(=O)OC[C@H](C)[C@H]([C@@]1(CC[C@@H ](O1)[C@@]2(CCC(O2)(C)C)C)C)O; CCCCCC(=O )OCC(C)C(C1(CCC(O1)C2(CCC(O2)(C)C)C)C)O; CCCCCC(=O)OC[CH](C)[CH](O)[C]1(C)CC[CH] (O1)[C]2(C)CCC(C)(C)O2; CCCCCC(=O)OC[C@H ](C)[C@@H](O)[C@]1(C)CC[C@@H](O1)[C@]2(C )CCC(C)(C)O2 |
[(2~{S},3~{R})-2-methyl-3-[(2~{S},5~{R})-2-methyl-5-[(2~{S})-2,5,5-trimethyloxolan-2-yl]oxolan-2-yl]-3-oxidanyl-propyl] hexanoate |
| 17657 |  A1L6Q |
2 | C14 H10 Cl N3 S2 | InChI=1S/C14H10ClN3S2/c15 -11-4-2-1-3-10(11)13-8-19 -14(20-13)12(7-16)18-6-5- 17-9-18/h1-6,9,13H,8H2/b1 4-12+/t13-/m0/s1; ZRTQSJFIDWNVJW-REQDGWNSSA-N |
Clc1ccccc1[CH]2CSC(S2)=C(C#N)n3ccnc3; Cl c1ccccc1[C@@H]2CSC(/S2)=C(/C#N)n3ccnc3; c1ccc(c(c1)C2CSC(=C(C#N)n3ccnc3)S2)Cl; c 1ccc(c(c1)[C@@H]2CS/C(=C(/C#N)\n3ccnc3)/ S2)Cl |
(2~{E})-2-[(4~{R})-4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-yl-ethanenitrile; lanoconazole |
| 17658 |  A1L6R |
5 | C24 H27 N7 O5 S | InChI=1S/C24H27N7O5S/c1-1 4-12-25-22(26-13-14)21(32 )16(3)37(33,34)30-24-29-2 8-23(17-9-6-8-15(2)27-17) 31(24)20-18(35-4)10-7-11- 19(20)36-5/h6-13,16,21,32 H,1-5H3,(H,29,30)/t16-,21 +/m0/s1; HNGYVRSMVVCWGF-HRAATJIYSA-N |
COc1cccc(OC)c1n2c(N[S](=O)(=O)[C@@H](C)[ C@@H](O)c3ncc(C)cn3)nnc2c4cccc(C)n4; COc 1cccc(OC)c1n2c(N[S](=O)(=O)[CH](C)[CH](O )c3ncc(C)cn3)nnc2c4cccc(C)n4; Cc1cccc(n1 )c2nnc(n2c3c(cccc3OC)OC)NS(=O)(=O)C(C)C( c4ncc(cn4)C)O; Cc1cccc(n1)c2nnc(n2c3c(cc cc3OC)OC)NS(=O)(=O)[C@@H](C)[C@H](c4ncc( cn4)C)O |
(1~{S},2~{S})-~{N}-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide |
| 17659 |  A1L6U CHEMBL546920 |
3 | C11 H14 Br N O | InChI=1S/C11H14BrNO/c1-2- 13-11(14)7-6-9-4-3-5-10(1 2)8-9/h3-5,8H,2,6-7H2,1H3 ,(H,13,14); UGAKXJNKHSOXDT-UHFFFAOYSA-N |
CCNC(=O)CCc1cccc(c1)Br; CCNC(=O)CCc1cccc (Br)c1 |
3-(3-bromophenyl)-~{N}-ethyl-propanamide |
| 17660 |  A1L6V |
3 | C14 H15 F3 N2 O2 | InChI=1S/C14H15F3N2O2/c1- 19(2)13(21)9-18-12(20)8-5 -10-3-6-11(7-4-10)14(15,1 6)17/h3-8H,9H2,1-2H3,(H,1 8,20)/b8-5+; NGZJOWYKBKCEMX-VMPITWQZSA-N |
CN(C)C(=O)CNC(=O)\C=C\c1ccc(cc1)C(F)(F)F ; CN(C)C(=O)CNC(=O)C=Cc1ccc(cc1)C(F)(F)F ; CN(C)C(=O)CNC(=O)/C=C/c1ccc(cc1)C(F)(F )F |
(~{E})-~{N}-[2-(dimethylamino)-2-oxidanylidene-ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide |
| 17661 |  A1L6W |
3 | C16 H16 F3 N3 O3 | InChI=1S/C16H16F3N3O3/c17 -16(18,19)12-4-1-11(2-5-1 2)3-6-13(23)21-9-15(25)22 -8-7-20-14(24)10-22/h1-6H ,7-10H2,(H,20,24)(H,21,23 )/b6-3+; SQCPJGHMDVTIRR-ZZXKWVIFSA-N |
c1cc(ccc1/C=C/C(=O)NCC(=O)N2CCNC(=O)C2)C (F)(F)F; FC(F)(F)c1ccc(C=CC(=O)NCC(=O)N2 CCNC(=O)C2)cc1; c1cc(ccc1C=CC(=O)NCC(=O) N2CCNC(=O)C2)C(F)(F)F; FC(F)(F)c1ccc(/C= C/C(=O)NCC(=O)N2CCNC(=O)C2)cc1 |
(~{E})-~{N}-[2-oxidanylidene-2-(3-oxidanylidenepiperazin-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide |
| 17662 |  A1L6X CHEMBL173038 |
1 | C18 H14 Cl4 N2 O | InChI=1S/C18H14Cl4N2O/c19 -13-2-1-12(16(21)7-13)10- 25-18(9-24-6-5-23-11-24)1 5-4-3-14(20)8-17(15)22/h1 -8,11,18H,9-10H2/t18-/m1/ s1; BYBLEWFAAKGYCD-GOSISDBHSA-N |
Clc1ccc(CO[C@H](Cn2ccnc2)c3ccc(Cl)cc3Cl) c(Cl)c1; Clc1ccc(CO[CH](Cn2ccnc2)c3ccc(C l)cc3Cl)c(Cl)c1; c1cc(c(cc1Cl)Cl)COC(Cn2 ccnc2)c3ccc(cc3Cl)Cl; c1cc(c(cc1Cl)Cl)CO [C@H](Cn2ccnc2)c3ccc(cc3Cl)Cl |
1-[(2S)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole; miconazole |
| 17663 |  A1L6Y CHEMBL389348 |
1 | C22 H28 N4 O4 | InChI=1S/C22H28N4O4/c23-2 2(24)25-13-7-12-19(21(28) 29)26-20(27)15-30-14-18(1 6-8-3-1-4-9-16)17-10-5-2- 6-11-17/h1-6,8-11,18-19H, 7,12-15H2,(H,26,27)(H,28, 29)(H4,23,24,25)/t19-/m0/ s1; RRKKJYBCPXAJAO-IBGZPJMESA-N |
c1ccc(cc1)C(COCC(=O)NC(CCCN=C(N)N)C(=O)O )c2ccccc2; NC(N)=NCCC[C@H](NC(=O)COCC(c1 ccccc1)c2ccccc2)C(O)=O; NC(N)=NCCC[CH](N C(=O)COCC(c1ccccc1)c2ccccc2)C(O)=O; c1cc c(cc1)C(COCC(=O)N[C@@H](CCCN=C(N)N)C(=O) O)c2ccccc2 |
(2S)-5-[bis(azanyl)methylideneamino]-2-[2-(2,2-diphenylethoxy)ethanoylamino]pentanoic acid; SB290157 |
| 17664 |  A1L6Z |
1 | C25 H40 O6 | InChI=1S/C25H40O6/c1-14-1 2-23(27)24(28,22(26)17(4) 7-9-20-15(2)10-11-30-20)2 1-16(3)6-8-19(21)18(5)25( 23,29)31-13-14/h10-11,14, 16-19,21-22,26-29H,6-9,12 -13H2,1-5H3/t14-,16+,17-, 18+,19+,21-,22+,23+,24+,2 5+/m1/s1; NYTILQADEOYMMD-POWAAIPISA-N |
Cc1ccoc1CC[C@@H](C)[C@@H]([C@]2([C@@H]3[ C@H](CC[C@H]3[C@@H]([C@]4([C@@]2(CC(CO4) C)O)O)C)C)O)O; C[CH]1CO[C]2(O)[CH](C)[CH ]3CC[CH](C)[CH]3[C](O)([CH](O)[CH](C)CCc 4occc4C)[C]2(O)C1; C[C@H]1CO[C@@]2(O)[C@ @H](C)[C@@H]3CC[C@H](C)[C@H]3[C@](O)([C@ @H](O)[C@H](C)CCc4occc4C)[C@@]2(O)C1; Cc 1ccoc1CCC(C)C(C2(C3C(CCC3C(C4(C2(CC(CO4) C)O)O)C)C)O)O |
(4~{a}~{S},5~{S},5~{a}~{R},6~{S},8~{a}~{R},9~{S},9~{a}~{S})-3,6,9-trimethyl-5-[(1~{S},2~{R})-2-methyl-4-(3-methylfuran-2-yl)-1-oxidanyl-butyl]-3,4,5~{a},6,7,8,8~{a},9-octahydro-2~{H}-cyclopenta[g]chromene-4~{a},5,9~{a}-triol |
| 17665 |  A1L70 |
1 | C25 H36 O6 Si | InChI=1S/C25H36O6Si/c1-5- 25(29,6-2)18-31-21-10-14- 23(15-11-21)32(3,4)22-12- 8-20(9-13-22)30-17-19(26) 7-16-24(27)28/h8-15,19,26 ,29H,5-7,16-18H2,1-4H3,(H ,27,28)/t19-/m1/s1; OWXFCNNGRPVSBM-LJQANCHMSA-N |
CCC(CC)(COc1ccc(cc1)[Si](C)(C)c2ccc(cc2) OC[C@H](CCC(=O)O)O)O; CCC(O)(CC)COc1ccc( cc1)[Si](C)(C)c2ccc(OC[CH](O)CCC(O)=O)cc 2; CCC(O)(CC)COc1ccc(cc1)[Si](C)(C)c2ccc (OC[C@@H](O)CCC(O)=O)cc2; CCC(CC)(COc1cc c(cc1)[Si](C)(C)c2ccc(cc2)OCC(CCC(=O)O)O )O |
(4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)phenyl]-dimethyl-silyl]phenoxy]-4-oxidanyl-pentanoic acid |
| 17666 |  A1L71 |
1 | C27 H40 O6 Si | InChI=1S/C27H40O6Si/c1-7- 27(31,8-2)18-33-25-13-11- 23(16-20(25)4)34(5,6)22-1 0-12-24(19(3)15-22)32-17- 21(28)9-14-26(29)30/h10-1 3,15-16,21,28,31H,7-9,14, 17-18H2,1-6H3,(H,29,30)/t 21-/m0/s1; ZRDFZSBOZQJKGC-NRFANRHFSA-N |
CCC(CC)(COc1ccc(cc1C)[Si](C)(C)c2ccc(c(c 2)C)OCC(CCC(=O)O)O)O; CCC(O)(CC)COc1ccc( cc1C)[Si](C)(C)c2ccc(OC[C@@H](O)CCC(O)=O )c(C)c2; CCC(CC)(COc1ccc(cc1C)[Si](C)(C) c2ccc(c(c2)C)OC[C@H](CCC(=O)O)O)O; CCC(O )(CC)COc1ccc(cc1C)[Si](C)(C)c2ccc(OC[CH] (O)CCC(O)=O)c(C)c2 |
(4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]-dimethyl-silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid |
| 17667 |  A1L73 |
1 | C27 H40 O6 Si | InChI=1S/C27H40O6Si/c1-7- 27(31,8-2)18-33-23-11-13- 25(20(4)16-23)34(5,6)24-1 2-10-22(15-19(24)3)32-17- 21(28)9-14-26(29)30/h10-1 3,15-16,21,28,31H,7-9,14, 17-18H2,1-6H3,(H,29,30)/t 21-/m0/s1; OSYCNJSNXPMJRY-NRFANRHFSA-N |
CCC(CC)(COc1ccc(c(c1)C)[Si](C)(C)c2ccc(c c2C)OCC(CCC(=O)O)O)O; CCC(CC)(COc1ccc(c( c1)C)[Si](C)(C)c2ccc(cc2C)OC[C@H](CCC(=O )O)O)O; CCC(O)(CC)COc1ccc(c(C)c1)[Si](C) (C)c2ccc(OC[CH](O)CCC(O)=O)cc2C; CCC(O)( CC)COc1ccc(c(C)c1)[Si](C)(C)c2ccc(OC[C@@ H](O)CCC(O)=O)cc2C |
(4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-2-methyl-phenyl]-dimethyl-silyl]-3-methyl-phenoxy]-4-oxidanyl-pentanoic acid |
| 17668 |  A1L74 |
1 | C29 H44 O6 Si | InChI=1S/C29H44O6Si/c1-9- 29(33,10-2)18-35-25-13-15 -27(22(6)20(25)4)36(7,8)2 6-14-12-24(19(3)21(26)5)3 4-17-23(30)11-16-28(31)32 /h12-15,23,30,33H,9-11,16 -18H2,1-8H3,(H,31,32)/t23 -/m1/s1; OUTAWAKGHUBDDX-HSZRJFAPSA-N |
CCC(CC)(COc1ccc(c(c1C)C)[Si](C)(C)c2ccc( c(c2C)C)OC[C@H](CCC(=O)O)O)O; CCC(O)(CC) COc1ccc(c(C)c1C)[Si](C)(C)c2ccc(OC[CH](O )CCC(O)=O)c(C)c2C; CCC(O)(CC)COc1ccc(c(C )c1C)[Si](C)(C)c2ccc(OC[C@@H](O)CCC(O)=O )c(C)c2C; CCC(CC)(COc1ccc(c(c1C)C)[Si](C )(C)c2ccc(c(c2C)C)OCC(CCC(=O)O)O)O |
(4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-2,3-dimethyl-phenyl]-dimethyl-silyl]-2,3-dimethyl-phenoxy]-4-oxidanyl-pentanoic acid |
| 17669 |  A1L75 |
1 | C29 H44 O6 Si | InChI=1S/C29H44O6Si/c1-9- 29(33,10-2)18-35-28-21(5) 15-25(16-22(28)6)36(7,8)2 4-13-19(3)27(20(4)14-24)3 4-17-23(30)11-12-26(31)32 /h13-16,23,30,33H,9-12,17 -18H2,1-8H3,(H,31,32); NBCWQJGLMDGMMV-UHFFFAOYSA-N |
CCC(CC)(COc1c(cc(cc1C)[Si](C)(C)c2cc(c(c (c2)C)OC[C@H](CCC(=O)O)O)C)C)O; CCC(CC)( COc1c(cc(cc1C)[Si](C)(C)c2cc(c(c(c2)C)OC C(CCC(=O)O)O)C)C)O; CCC(O)(CC)COc1c(C)cc (cc1C)[Si](C)(C)c2cc(C)c(OC[CH](O)CCC(O) =O)c(C)c2; CCC(O)(CC)COc1c(C)cc(cc1C)[Si ](C)(C)c2cc(C)c(OC[C@@H](O)CCC(O)=O)c(C) c2 |
(4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-3,5-dimethyl-phenyl]-dimethyl-silyl]-2,6-dimethyl-phenoxy]-4-oxidanyl-pentanoic acid |
| 17670 |  A1L76 |
1 | C31 H44 O6 Si | InChI=1S/C31H44O6Si/c1-7- 17-38(18-8-2,27-13-15-29( 24(6)20-27)37-22-31(35,9- 3)10-4)26-12-14-28(23(5)1 9-26)36-21-25(32)11-16-30 (33)34/h7-8,12-15,19-20,2 5,32,35H,1-2,9-11,16-18,2 1-22H2,3-6H3,(H,33,34)/t2 5-/m1/s1; ACVDDFOGQPPGOI-RUZDIDTESA-N |
CCC(CC)(COc1ccc(cc1C)[Si](CC=C)(CC=C)c2c cc(c(c2)C)OCC(CCC(=O)O)O)O; CCC(O)(CC)CO c1ccc(cc1C)[Si](CC=C)(CC=C)c2ccc(OC[C@@H ](O)CCC(O)=O)c(C)c2; CCC(O)(CC)COc1ccc(c c1C)[Si](CC=C)(CC=C)c2ccc(OC[CH](O)CCC(O )=O)c(C)c2; CCC(CC)(COc1ccc(cc1C)[Si](CC =C)(CC=C)c2ccc(c(c2)C)OC[C@H](CCC(=O)O)O )O |
(4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]-bis(prop-2-enyl)silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid |
| 17671 |  A1L77 |
1 | C33 H52 O6 Si | InChI=1S/C33H52O6Si/c1-7- 11-19-40(20-12-8-2,29-15- 17-31(26(6)22-29)39-24-33 (37,9-3)10-4)28-14-16-30( 25(5)21-28)38-23-27(34)13 -18-32(35)36/h14-17,21-22 ,27,34,37H,7-13,18-20,23- 24H2,1-6H3,(H,35,36)/t27- /m0/s1; VIAQTQKQQPBVMW-MHZLTWQESA-N |
CCCC[Si](CCCC)(c1ccc(c(c1)C)OC[C@H](CCC( =O)O)O)c2ccc(c(c2)C)OCC(CC)(CC)O; CCCC[S i](CCCC)(c1ccc(c(c1)C)OCC(CCC(=O)O)O)c2c cc(c(c2)C)OCC(CC)(CC)O; CCCC[Si](CCCC)(c 1ccc(OC[C@@H](O)CCC(O)=O)c(C)c1)c2ccc(OC C(O)(CC)CC)c(C)c2; CCCC[Si](CCCC)(c1ccc( OC[CH](O)CCC(O)=O)c(C)c1)c2ccc(OCC(O)(CC )CC)c(C)c2 |
(4~{S})-5-[4-[dibutyl-[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid |
| 17672 |  A1L78 |
1 | C29 H44 O6 Si | InChI=1S/C29H44O6Si/c1-7- 29(33,8-2)20-35-27-15-13- 25(18-22(27)6)36(9-3,10-4 )24-12-14-26(21(5)17-24)3 4-19-23(30)11-16-28(31)32 /h12-15,17-18,23,30,33H,7 -11,16,19-20H2,1-6H3,(H,3 1,32)/t23-/m1/s1; ACMSFXPVKXNDEF-HSZRJFAPSA-N |
CCC(CC)(COc1ccc(cc1C)[Si](CC)(CC)c2ccc(c (c2)C)OC[C@H](CCC(=O)O)O)O; CCC(O)(CC)CO c1ccc(cc1C)[Si](CC)(CC)c2ccc(OC[CH](O)CC C(O)=O)c(C)c2; CCC(O)(CC)COc1ccc(cc1C)[S i](CC)(CC)c2ccc(OC[C@@H](O)CCC(O)=O)c(C) c2; CCC(CC)(COc1ccc(cc1C)[Si](CC)(CC)c2c cc(c(c2)C)OCC(CCC(=O)O)O)O |
(4~{S})-5-[4-[diethyl-[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid |
| 17673 |  A1L79 |
1 | C31 H48 O6 Si | InChI=1S/C31H48O6Si/c1-7- 17-38(18-8-2,27-13-15-29( 24(6)20-27)37-22-31(35,9- 3)10-4)26-12-14-28(23(5)1 9-26)36-21-25(32)11-16-30 (33)34/h12-15,19-20,25,32 ,35H,7-11,16-18,21-22H2,1 -6H3,(H,33,34)/t25-/m0/s1; WEFOCDOWLUCQPS-VWLOTQADSA-N |
CCC[Si](CCC)(c1ccc(c(c1)C)OC[C@H](CCC(=O )O)O)c2ccc(c(c2)C)OCC(CC)(CC)O; CCC[Si]( CCC)(c1ccc(c(c1)C)OCC(CCC(=O)O)O)c2ccc(c (c2)C)OCC(CC)(CC)O; CCC[Si](CCC)(c1ccc(O C[C@@H](O)CCC(O)=O)c(C)c1)c2ccc(OCC(O)(C C)CC)c(C)c2; CCC[Si](CCC)(c1ccc(OC[CH](O )CCC(O)=O)c(C)c1)c2ccc(OCC(O)(CC)CC)c(C) c2 |
(4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]-dipropyl-silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid |
| 17674 |  A1L7A |
1 | C12 H8 F N O5 | InChI=1S/C12H8FNO5/c1-2-5 -14-8-4-3-7(13)6-9(8)19-1 2(18,10(14)15)11(16)17/h1 ,3-4,6,18H,5H2,(H,16,17)/ t12-/m1/s1; WTUVRXLEVFSMKU-GFCCVEGCSA-N |
OC(=O)[C@]1(O)Oc2cc(F)ccc2N(CC#C)C1=O; C #CCN1c2ccc(cc2OC(C1=O)(C(=O)O)O)F; OC(=O )[C]1(O)Oc2cc(F)ccc2N(CC#C)C1=O; C#CCN1c 2ccc(cc2O[C@](C1=O)(C(=O)O)O)F |
(2~{R})-7-fluoranyl-2-oxidanyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazine-2-carboxylic acid |
| 17675 |  A1L7B CHEMBL315108 |
2 | C13 H9 Br N4 O3 | InChI=1S/C13H9BrN4O3/c14- 9-3-1-8(2-4-9)10-5-15-12( 21-10)6-16-18-7-11(19)17- 13(18)20/h1-6H,7H2,(H,17, 19,20)/b16-6+; SEGCNGONCZQFDW-OMCISZLKSA-N |
Brc1ccc(cc1)c2oc(C=NN3CC(=O)NC3=O)nc2; c 1cc(ccc1c2cnc(o2)/C=N/N3CC(=O)NC3=O)Br; c1cc(ccc1c2cnc(o2)C=NN3CC(=O)NC3=O)Br; B rc1ccc(cc1)c2oc(\C=N\N3CC(=O)NC3=O)nc2 |
Azumolene |
| 17676 |  A1L7C |
1 | C15 H30 N3 O8 P | InChI=1S/C15H30N3O8P/c1-1 1(19)16-7-4-5-8-17-12(20) 6-9-18-14(22)13(21)15(2,3 )10-26-27(23,24)25/h13,21 H,4-10H2,1-3H3,(H,16,19)( H,17,20)(H,18,22)(H2,23,2 4,25)/t13-/m0/s1; WELIAYKYJCYRGJ-ZDUSSCGKSA-N |
CC(=O)NCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)C OP(=O)(O)O)O; CC(=O)NCCCCNC(=O)CCNC(=O)C (C(C)(C)COP(=O)(O)O)O; CC(=O)NCCCCNC(=O) CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O; CC( =O)NCCCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[ P](O)(O)=O |
[(3~{R})-4-[[3-(4-acetamidobutylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate |
| 17677 |  A1L7D |
1 | C20 H15 N3 O4 | InChI=1S/C20H15N3O4/c1-22 -18(25)16(10-21-22)17(24) 13-7-8-14-15(9-13)20(27)2 3(19(14)26)11-12-5-3-2-4- 6-12/h2-10,25H,11H2,1H3; GNZCKXMCPWJIFN-UHFFFAOYSA-N |
Cn1ncc(c1O)C(=O)c2ccc3C(=O)N(Cc4ccccc4)C (=O)c3c2; Cn1c(c(cn1)C(=O)c2ccc3c(c2)C(= O)N(C3=O)Cc4ccccc4)O |
5-(1-methyl-5-oxidanyl-pyrazol-4-yl)carbonyl-2-(phenylmethyl)isoindole-1,3-dione |
| 17678 |  A1L7E |
2 | C11 H11 I N2 O2 | InChI=1S/C11H11IN2O2/c12- 8-3-1-2-7-6(5-14-10(7)8)4 -9(13)11(15)16/h1-3,5,9,1 4H,4,13H2,(H,15,16)/t9-/m 0/s1; VOMLUUOHUWEUIZ-VIFPVBQESA-N |
N[CH](Cc1c[nH]c2c(I)cccc12)C(O)=O; c1cc2 c(c[nH]c2c(c1)I)C[C@@H](C(=O)O)N; c1cc2c (c[nH]c2c(c1)I)CC(C(=O)O)N; N[C@@H](Cc1c [nH]c2c(I)cccc12)C(O)=O |
(2~{S})-2-azanyl-3-(7-iodanyl-1~{H}-indol-3-yl)propanoic acid |
| 17679 |  A1L7G |
2 | C17 H20 N2 O4 | InChI=1S/C17H20N2O4/c20-9 -3-8-18-15(17(22)23)11-16 (21)19-14-7-6-12-4-1-2-5- 13(12)10-14/h1-2,4-7,10,1 5,18,20H,3,8-9,11H2,(H,19 ,21)(H,22,23)/t15-/m0/s1; XGSOJHFXQLOTSQ-HNNXBMFYSA-N |
OCCCN[C@@H](CC(=O)Nc1ccc2ccccc2c1)C(O)=O ; c1ccc2cc(ccc2c1)NC(=O)C[C@@H](C(=O)O)N CCCO; OCCCN[CH](CC(=O)Nc1ccc2ccccc2c1)C( O)=O; c1ccc2cc(ccc2c1)NC(=O)CC(C(=O)O)NC CCO |
(2~{S})-4-(naphthalen-2-ylamino)-4-oxidanylidene-2-(3-oxidanylpropylamino)butanoic acid |
| 17680 |  A1L7J |
1 | C22 H24 F3 N4 O5 P | InChI=1S/C22H24F3N4O5P/c1 -3-11-29-20(30)18-19(28(2 1(29)31)12-4-5-13-35(32,3 3)34)26-17(27(18)2)10-9-1 5-7-6-8-16(14-15)22(23,24 )25/h1,6-8,14H,4-5,9-13H2 ,2H3,(H2,32,33,34); HMTOKAHHYDQCJD-UHFFFAOYSA-N |
Cn1c(nc2c1C(=O)N(C(=O)N2CCCCP(=O)(O)O)CC #C)CCc3cccc(c3)C(F)(F)F; Cn1c(CCc2cccc(c 2)C(F)(F)F)nc3N(CCCC[P](O)(O)=O)C(=O)N(C C#C)C(=O)c13 |
4-[7-methyl-2,6-bis(oxidanylidene)-1-prop-2-ynyl-8-[2-[3-(trifluoromethyl)phenyl]ethyl]purin-3-yl]butylphosphonic acid |
| 17681 |  A1L7K |
0 | C8 H14 N2 O3 | InChI=1S/C8H14N2O3/c9-6(8 (12)13)4-5-2-1-3-10-7(5)1 1/h5-6H,1-4,9H2,(H,10,11) (H,12,13)/t5-,6-/m0/s1; OVWKHGGFYXIBGJ-WDSKDSINSA-N |
C1CC(C(=O)NC1)CC(C(=O)O)N; C1C[C@H](C(=O )NC1)C[C@@H](C(=O)O)N; N[CH](C[CH]1CCCNC 1=O)C(O)=O; N[C@@H](C[C@@H]1CCCNC1=O)C(O )=O |
(2~{S})-2-azanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propanoic acid; (S)-2-amino-3-((S)-2-oxopiperidin-3-yl)propanoic acid |
| 17682 |  A1L7L |
0 | C8 H15 N O2 | InChI=1S/C8H15NO2/c1-9-7( 8(10)11)5-6-3-2-4-6/h6-7, 9H,2-5H2,1H3,(H,10,11)/t7 -/m0/s1; FWFFEJNSBQYNAZ-ZETCQYMHSA-N |
CN[C@@H](CC1CCC1)C(=O)O; CNC(CC1CCC1)C(= O)O; CN[C@@H](CC1CCC1)C(O)=O; CN[CH](CC1 CCC1)C(O)=O |
(2~{S})-3-cyclobutyl-2-(methylamino)propanoic acid; N-methyl-L-cyclobutylalanine |
| 17683 |  A1L7M |
6 | C4 H7 N O2 | InChI=1S/C4H7NO2/c6-4(7)5 -3-1-2-3/h3,5H,1-2H2,(H,6 ,7); JHFINHOBWIGQHJ-UHFFFAOYSA-N |
OC(=O)NC1CC1; C1CC1NC(=O)O | cyclopropylcarbamic acid |
| 17684 |  A1L7N |
0 | C6 H13 N O2 | InChI=1S/C6H13NO2/c1-3-4- 5(7-2)6(8)9/h5,7H,3-4H2,1 -2H3,(H,8,9)/t5-/m0/s1; HCPKYUNZBPVCHC-YFKPBYRVSA-N |
CCCC(C(=O)O)NC; CCC[CH](NC)C(O)=O; CCC[C @@H](C(=O)O)NC; CCC[C@H](NC)C(O)=O |
N-Methyl-L-norvaline; (2~{S})-2-(methylamino)pentanoic acid |
| 17685 |  A1L7O |
2 | C24 H32 N2 O2 | InChI=1S/C24H32N2O2/c27-2 3-9-4-8-22(16-23)21-10-13 -25(14-11-21)18-24-19-26( 12-5-15-28-24)17-20-6-2-1 -3-7-20/h1-4,6-9,16,21,24 ,27H,5,10-15,17-19H2/t24- /m0/s1; UQIBNGMNYAIMIZ-DEOSSOPVSA-N |
c1ccc(cc1)CN2CCCOC(C2)CN3CCC(CC3)c4cccc( c4)O; Oc1cccc(c1)C2CCN(CC2)C[C@H]3CN(CCC O3)Cc4ccccc4; Oc1cccc(c1)C2CCN(CC2)C[CH] 3CN(CCCO3)Cc4ccccc4; c1ccc(cc1)CN2CCCO[C @H](C2)CN3CCC(CC3)c4cccc(c4)O |
3-[1-[[(2~{S})-4-(phenylmethyl)-1,4-oxazepan-2-yl]methyl]piperidin-4-yl]phenol |
| 17686 |  A1L7P |
2 | C24 H18 F3 N5 O2 | InChI=1S/C24H18F3N5O2/c1- 14-6-18(10-28-9-14)32-23( 33)29-22(30-12-16-4-2-3-5 -17(16)13-30)31(24(32)34) 11-15-7-19(25)21(27)20(26 )8-15/h2-10H,11-13H2,1H3; OSHILUBZOLSXOR-UHFFFAOYSA-N |
Cc1cc(cnc1)N2C(=O)N=C(N(C2=O)Cc3cc(c(c(c 3)F)F)F)N4Cc5ccccc5C4; Cc1cncc(c1)N2C(=O )N=C(N3Cc4ccccc4C3)N(Cc5cc(F)c(F)c(F)c5) C2=O |
6-(1,3-dihydroisoindol-2-yl)-3-(5-methylpyridin-3-yl)-1-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione |
| 17687 |  A1L7Q |
2 | C27 H22 F3 N5 O2 | InChI=1S/C27H22F3N5O2/c1- 16-8-20(13-32-12-16)35-26 (36)21(9-17-10-22(28)24(3 0)23(29)11-17)25(34(7-6-3 1)27(35)37)33-14-18-4-2-3 -5-19(18)15-33/h2-6,8,10- 13,31H,7,9,14-15H2,1H3/b3 1-6-; XJHRRUKAUCQCNU-SVRKQYBGSA-N |
[H]/N=C\CN1C(=C(C(=O)N(C1=O)c2cc(cnc2)C) Cc3cc(c(c(c3)F)F)F)N4Cc5ccccc5C4; Cc1cc( cnc1)N2C(=O)C(=C(N(C2=O)CC=N)N3Cc4ccccc4 C3)Cc5cc(c(c(c5)F)F)F; Cc1cncc(c1)N2C(=O )N(CC=N)C(=C(Cc3cc(F)c(F)c(F)c3)C2=O)N4C c5ccccc5C4 |
1-(2-azanylideneethyl)-6-(1,3-dihydroisoindol-2-yl)-3-(5-methylpyridin-3-yl)-5-[[3,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione |
| 17688 |  A1L7R |
1 | C23 H18 Cl2 F3 N5 O2 | InChI=1S/C23H18Cl2F3N5O2/ c24-14-6-15(8-30-7-14)33- 20(34)18(13-1-2-17(26)16( 25)5-13)19(32(4-3-29)21(3 3)35)31-11-22(12-31)9-23( 27,28)10-22/h1-3,5-8,29H, 4,9-12H2; RXJZRRLUUSKVDH-UHFFFAOYSA-N |
Fc1ccc(cc1Cl)C2=C(N3CC4(C3)CC(F)(F)C4)N( CC=N)C(=O)N(C2=O)c5cncc(Cl)c5; c1cc(c(cc 1C2=C(N(C(=O)N(C2=O)c3cc(cnc3)Cl)CC=N)N4 CC5(C4)CC(C5)(F)F)Cl)F |
1-(2-azanylideneethyl)-6-[6,6-bis(fluoranyl)-2-azaspiro[3.3]heptan-2-yl]-5-(3-chloranyl-4-fluoranyl-phenyl)-3-(5-chloranylpyridin-3-yl)pyrimidine-2,4-dione |
| 17689 |  A1L7S |
1 | C24 H35 N3 O5 S | InChI=1S/C24H35N3O5S/c1-3 0-21-15-14-18(17-22(21)31 -2)9-8-13-23-25-24(32-26- 23)20-12-6-7-16-27(20)33( 28,29)19-10-4-3-5-11-19/h 14-15,17,19-20H,3-13,16H2 ,1-2H3/t20-/m0/s1; RPFKIQSMYIANNB-FQEVSTJZSA-N |
COc1ccc(cc1OC)CCCc2nc(on2)[C@@H]3CCCCN3S (=O)(=O)C4CCCCC4; COc1ccc(CCCc2noc(n2)[C @@H]3CCCCN3[S](=O)(=O)C4CCCCC4)cc1OC; CO c1ccc(cc1OC)CCCc2nc(on2)C3CCCCN3S(=O)(=O )C4CCCCC4; COc1ccc(CCCc2noc(n2)[CH]3CCCC N3[S](=O)(=O)C4CCCCC4)cc1OC |
5-[(2~{S})-1-cyclohexylsulfonylpiperidin-2-yl]-3-[3-(3,4-dimethoxyphenyl)propyl]-1,2,4-oxadiazole |
| 17690 |  A1L7T |
3 | C5 H11 N O3 | InChI=1S/C5H11NO3/c1-5(2, 6)3(7)4(8)9/h3,7H,6H2,1-2 H3,(H,8,9)/t3-/m0/s1; YNEGEPKXRPUBDF-VKHMYHEASA-N |
CC(C)(N)[C@@H](O)C(O)=O; CC(C)(C(C(=O)O) O)N; CC(C)([C@H](C(=O)O)O)N; CC(C)(N)[CH ](O)C(O)=O |
(2~{R})-3-azanyl-3-methyl-2-oxidanyl-butanoic acid; 2-aminoisobutyric acid |
| 17691 |  A1L7U |
0 | C16 H15 N O5 | InChI=1S/C16H15NO5/c1-7-4 -13(18)22-14-8(2)15-11(5- 10(7)14)12(9(3)21-15)6-17 -16(19)20/h4-5,17H,6H2,1- 3H3,(H,19,20); AAEQVUGUZZPHHC-UHFFFAOYSA-N |
Cc1c2c(cc3c1OC(=O)C=C3C)c(c(o2)C)CNC(=O) O; Cc1oc2c(C)c3OC(=O)C=C(C)c3cc2c1CNC(O) =O |
(2,5,9-trimethyl-7-oxidanylidene-furo[3,2-g]chromen-3-yl)methylcarbamic acid |
| 17692 |  A1L7V |
1 | C12 H24 N O7 S2 | InChI=1S/C12H24NO7S2/c1-2 2(19)5-3-2-4-8(13-18)21-1 2-11(17)10(16)9(15)7(6-14 )20-12/h7,9-12,14-19H,2-6 H2,1H3/b13-8-/t7-,9-,10+, 11-,12+/m1/s1; JVJFEIQKNHAMBL-AHMUMSBHSA-N |
C[S@@](CCCC/C(=N/O)/S[C@H]1[C@@H]([C@H]( [C@@H]([C@H](O1)CO)O)O)O)O; C[S@](O)CCCC \C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C @H]1O)=N\O; C[S](CCCCC(=NO)SC1C(C(C(C(O1 )CO)O)O)O)O; C[S](O)CCCCC(S[CH]1O[CH](CO )[CH](O)[CH](O)[CH]1O)=NO |
[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1~{Z})-5-[methyl(oxidanyl)-$l^{3}-sulfanyl]-~{N}-oxidanyl-pentanimidothioate |
| 17693 |  A1L7W |
1 | C16 H16 N6 O2 | InChI=1S/C16H16N6O2/c17-7 -11-2-1-3-13(6-11)15-20-2 1-16(24-15)14(23)19-8-12- 4-5-22(9-12)10-18/h1-3,6, 10,12,18H,4-5,8-9H2,(H,19 ,23)/b18-10-/t12-/m0/s1; WRBUPGZBRUFZCK-XACIZNRCSA-N |
[H]/N=C\N1CC[C@H](C1)CNC(=O)c2nnc(o2)c3c ccc(c3)C#N; N=CN1CC[CH](CNC(=O)c2oc(nn2) c3cccc(c3)C#N)C1; N=CN1CC[C@@H](CNC(=O)c 2oc(nn2)c3cccc(c3)C#N)C1; c1cc(cc(c1)c2n nc(o2)C(=O)NCC3CCN(C3)C=N)C#N |
5-(3-cyanophenyl)-~{N}-[[(3~{S})-1-(iminomethyl)pyrrolidin-3-yl]methyl]-1,3,4-oxadiazole-2-carboxamide |
| 17694 |  A1L7X |
1 | C27 H34 F6 O6 Si | InChI=1S/C27H34F6O6Si/c1- 5-25(37,6-2)16-39-23-11-9 -19(14-21(23)27(31,32)33) 40(3,4)18-8-10-22(20(13-1 8)26(28,29)30)38-15-17(34 )7-12-24(35)36/h8-11,13-1 4,17,34,37H,5-7,12,15-16H 2,1-4H3,(H,35,36)/t17-/m1 /s1; FOBWZYOIZWJMHE-QGZVFWFLSA-N |
CCC(O)(CC)COc1ccc(cc1C(F)(F)F)[Si](C)(C) c2ccc(OC[C@@H](O)CCC(O)=O)c(c2)C(F)(F)F; CCC(CC)(COc1ccc(cc1C(F)(F)F)[Si](C)(C)c 2ccc(c(c2)C(F)(F)F)OCC(CCC(=O)O)O)O; CCC (CC)(COc1ccc(cc1C(F)(F)F)[Si](C)(C)c2ccc (c(c2)C(F)(F)F)OC[C@H](CCC(=O)O)O)O; CCC (O)(CC)COc1ccc(cc1C(F)(F)F)[Si](C)(C)c2c cc(OC[CH](O)CCC(O)=O)c(c2)C(F)(F)F |
(4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-3-(trifluoromethyl)phenyl]-dimethyl-silyl]-2-(trifluoromethyl)phenoxy]-4-oxidanyl-pentanoic acid |
| 17695 |  A1L7Y |
1 | C25 H34 Cl2 O6 Si | InChI=1S/C25H34Cl2O6Si/c1 -5-25(31,6-2)16-33-23-11- 9-19(14-21(23)27)34(3,4)1 8-8-10-22(20(26)13-18)32- 15-17(28)7-12-24(29)30/h8 -11,13-14,17,28,31H,5-7,1 2,15-16H2,1-4H3,(H,29,30) /t17-/m0/s1; WUCFPULJDHVZFU-KRWDZBQOSA-N |
CCC(CC)(COc1ccc(cc1Cl)[Si](C)(C)c2ccc(c( c2)Cl)OCC(CCC(=O)O)O)O; CCC(O)(CC)COc1cc c(cc1Cl)[Si](C)(C)c2ccc(OC[C@@H](O)CCC(O )=O)c(Cl)c2; CCC(CC)(COc1ccc(cc1Cl)[Si]( C)(C)c2ccc(c(c2)Cl)OC[C@H](CCC(=O)O)O)O; CCC(O)(CC)COc1ccc(cc1Cl)[Si](C)(C)c2ccc (OC[CH](O)CCC(O)=O)c(Cl)c2 |
(4~{S})-5-[2-chloranyl-4-[[3-chloranyl-4-(2-ethyl-2-oxidanyl-butoxy)phenyl]-dimethyl-silyl]phenoxy]-4-oxidanyl-pentanoic acid |
| 17696 |  A1L7Z |
2 | C29 H44 O6 Si | InChI=1S/C29H44O6Si/c1-7- 21-17-24(12-14-26(21)34-1 9-23(30)11-16-28(31)32)36 (5,6)25-13-15-27(22(8-2)1 8-25)35-20-29(33,9-3)10-4 /h12-15,17-18,23,30,33H,7 -11,16,19-20H2,1-6H3,(H,3 1,32)/t23-/m0/s1; GKOWYUYIKZRUDT-QHCPKHFHSA-N |
CCc1cc(ccc1OC[CH](O)CCC(O)=O)[Si](C)(C)c 2ccc(OCC(O)(CC)CC)c(CC)c2; CCc1cc(ccc1OC [C@H](CCC(=O)O)O)[Si](C)(C)c2ccc(c(c2)CC )OCC(CC)(CC)O; CCc1cc(ccc1OC[C@@H](O)CCC (O)=O)[Si](C)(C)c2ccc(OCC(O)(CC)CC)c(CC) c2; CCc1cc(ccc1OCC(CCC(=O)O)O)[Si](C)(C) c2ccc(c(c2)CC)OCC(CC)(CC)O |
(4~{S})-5-[2-ethyl-4-[[3-ethyl-4-(2-ethyl-2-oxidanyl-butoxy)phenyl]-dimethyl-silyl]phenoxy]-4-oxidanyl-pentanoic acid |
| 17697 |  A1L81 |
3 | C14 H19 N3 O8 | InChI=1S/C14H17N3O8/c18-1 2(15-5-3-1-2-4-13(19)20)8 -9-6-10(16(22)23)14(21)11 (7-9)17(24)25/h6-7H,1-5,8 H2,(H3-2,15,18,19,20,21,2 2,23,24,25)/p+2; QPRRCFGXTFIQKQ-UHFFFAOYSA-P |
c1c(cc(c(c1[N+](=O)O)O)[N+](=O)O)CC(=O)N CCCCCC(=O)O; OC(=O)CCCCCNC(=O)Cc1cc(c(O) c(c1)[N+](O)=O)[N+](O)=O |
6-[2-(3,5-dinitro-4-oxidanyl-phenyl)ethanoylamino]hexanoic acid |
| 17698 |  A1L82 |
0 | C10 H21 F N3 O7 P | InChI=1S/C10H21FN3O7P/c1- 10(11)4-14(9(16)13-8(10)1 2)7-2-5(15)6(21-7)3-20-22 (17,18)19/h5-9,13,15-16H, 2-4,12H2,1H3,(H2,17,18,19 )/t5-,6+,7+,8+,9+,10-/m0/ s1; BPWPSMUBYMMKQY-LIKBTPFBSA-N |
CC1(CN(C(NC1N)O)C2CC(C(O2)COP(=O)(O)O)O) F; C[C@@]1(CN([C@@H](N[C@H]1N)O)[C@H]2C[ C@@H]([C@H](O2)COP(=O)(O)O)O)F; C[C]1(F) CN([CH](O)N[CH]1N)[CH]2C[CH](O)[CH](CO[P ](O)(O)=O)O2; C[C@]1(F)CN([C@H](O)N[C@H] 1N)[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O 2 |
[(2~{R},3~{S},5~{R})-5-[(2~{R},4~{R},5~{S})-4-azanyl-5-fluoranyl-5-methyl-2-oxidanyl-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
| 17699 |  A1L89 CHEMBL1950792 |
9 | C19 H27 N7 O21 P4 | InChI=1S/C19H27N7O21P4/c2 0-15-10-16(22-5-21-15)26( 6-23-10)18-14(31)12(29)8( 44-18)4-42-49(35,36)46-51 (39,40)47-50(37,38)45-48( 33,34)41-3-7-11(28)13(30) 17(43-7)25-2-1-9(27)24-19 (25)32/h1-2,5-8,11-14,17- 18,28-31H,3-4H2,(H,33,34) (H,35,36)(H,37,38)(H,39,4 0)(H2,20,21,22)(H,24,27,3 2)/t7-,8-,11-,12-,13-,14- ,17-,18-/m1/s1; ADWZBTIGCZHWBW-KPKSGTNCSA-N |
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(= O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[C@ H]4O[C@H]([C@H](O)[C@@H]4O)N5C=CC(=O)NC5 =O)[C@@H](O)[C@H]3O; c1nc(c2c(n1)n(cn2)C 3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP (=O)(O)OCC4C(C(C(O4)N5C=CC(=O)NC5=O)O)O) O)O)N; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C @@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)( O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O 4)N5C=CC(=O)NC5=O)O)O)O)O)N; Nc1ncnc2n(c nc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O [P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O )[CH]4O)N5C=CC(=O)NC5=O)[CH](O)[CH]3O |
P1-(5'-Adenosyl) P4-(5'-uridyl) tetraphosphate; [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate; Adenosine(5')tetraphosphate uridine; Ap4U |
| 17700 |  A1L8A |
1 | C32 H42 O6 Si | InChI=1S/C32H42O6Si/c1-6- 32(36,7-2)22-38-30-17-15- 28(20-24(30)4)39(5,26-11- 9-8-10-12-26)27-14-16-29( 23(3)19-27)37-21-25(33)13 -18-31(34)35/h8-12,14-17, 19-20,25,33,36H,6-7,13,18 ,21-22H2,1-5H3,(H,34,35)/ t25?,39-/m1/s1; OGWGETOGIMXEHG-DGXSBJFJSA-N |
CCC(CC)(COc1ccc(cc1C)[Si@](C)(c2ccccc2)c 3ccc(c(c3)C)OC[C@H](CCC(=O)O)O)O; CCC(CC )(COc1ccc(cc1C)[Si](C)(c2ccccc2)c3ccc(c( c3)C)OCC(CCC(=O)O)O)O; CCC(O)(CC)COc1ccc (cc1C)[Si@](C)(c2ccccc2)c3ccc(OC[C@@H](O )CCC(O)=O)c(C)c3; CCC(O)(CC)COc1ccc(cc1C )[Si](C)(c2ccccc2)c3ccc(OC[CH](O)CCC(O)= O)c(C)c3 |
(4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]-methyl-phenyl-silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid |
| 17701 |  A1L8B |
1 | C29 H44 O6 Si | InChI=1S/C29H44O6Si/c1-7- 16-36(6,25-12-14-27(22(5) 18-25)35-20-29(33,8-2)9-3 )24-11-13-26(21(4)17-24)3 4-19-23(30)10-15-28(31)32 /h11-14,17-18,23,30,33H,7 -10,15-16,19-20H2,1-6H3,( H,31,32)/t23-,36+/m0/s1; QIPUEXXIUNZLGD-RJVOLCHMSA-N |
CCC[Si@](C)(c1ccc(c(c1)C)OC[C@H](CCC(=O) O)O)c2ccc(c(c2)C)OCC(CC)(CC)O; CCC[Si](C )(c1ccc(c(c1)C)OCC(CCC(=O)O)O)c2ccc(c(c2 )C)OCC(CC)(CC)O; CCC[Si](C)(c1ccc(OC[CH] (O)CCC(O)=O)c(C)c1)c2ccc(OCC(O)(CC)CC)c( C)c2; CCC[Si@](C)(c1ccc(OC[C@@H](O)CCC(O )=O)c(C)c1)c2ccc(OCC(O)(CC)CC)c(C)c2 |
(4~{S})-5-[4-[[4-(2-ethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]-methyl-propyl-silyl]-2-methyl-phenoxy]-4-oxidanyl-pentanoic acid |
| 17702 |  A1L8C |
2 | C9 H6 O4 | InChI=1S/C9H6O4/c10-6-3-1 -5-2-4-7(11)13-9(5)8(6)12 /h1-4,10,12H; ATEFPOUAMCWAQS-UHFFFAOYSA-N |
c1cc(c(c2c1C=CC(=O)O2)O)O; Oc1ccc2C=CC(= O)Oc2c1O |
7,8-bis(oxidanyl)chromen-2-one; daphnetin |
| 17703 |  A1L8D |
1 | C13 H9 F3 N2 O3 S | InChI=1S/C13H9F3N2O3S/c14 -13(15,16)9-4-6-10(7-5-9) 22(20,21)18-12(19)11-3-1- 2-8-17-11/h1-8H,(H,18,19); CPWLQDMYBULSTL-UHFFFAOYSA-N |
c1ccnc(c1)C(=O)NS(=O)(=O)c2ccc(cc2)C(F)( F)F; FC(F)(F)c1ccc(cc1)[S](=O)(=O)NC(=O) c2ccccn2 |
~{N}-[4-(trifluoromethyl)phenyl]sulfonylpyridine-2-carboxamide |
| 17704 |  A1L8E |
1 | C39 H50 N O3 P | InChI=1S/C39H50NO3P/c1-33 -32-34(41)27-28-37(33)39( 42)43-30-20-10-8-6-4-2-3- 5-7-9-11-21-31-44(35-22-1 4-12-15-23-35,36-24-16-13 -17-25-36)38-26-18-19-29- 40-38/h12-19,22-29,32,41, 44H,2-11,20-21,30-31H2,1H 3; XOLHROXNDQJWIB-UHFFFAOYSA-N |
Cc1cc(ccc1C(=O)OCCCCCCCCCCCCCCP(c2ccccc2 )(c3ccccc3)c4ccccn4)O; Cc1cc(O)ccc1C(=O) OCCCCCCCCCCCCCC[PH](c2ccccc2)(c3ccccc3)c 4ccccn4 |
14-[diphenyl(pyridin-2-yl)-$l^{5}-phosphanyl]tetradecyl 2-methyl-4-oxidanyl-benzoate |
| 17705 |  A1L8F CHEMBL1221863 |
0 | C17 H19 N O4 | InChI=1S/C17H19NO4/c1-20- 15-4-11-12-7-18(13(11)5-1 4(15)19)6-9-2-16-17(3-10( 9)12)22-8-21-16/h2-4,12-1 5,19H,5-8H2,1H3/t12-,13-, 14-,15-/m0/s1; MKYLOMHWHWEFCT-AJNGGQMLSA-N |
COC1C=C2C(CC1O)N3Cc4cc5c(cc4C2C3)OCO5; C O[C@H]1C=C2[C@H](C[C@@H]1O)[N@@]3C[C@H]2 c4cc5OCOc5cc4C3; CO[C@H]1C=C2[C@H](C[C@@ H]1O)[N@]3Cc4cc5c(cc4[C@@H]2C3)OCO5; CO[ CH]1C=C2[CH](C[CH]1O)[N]3C[CH]2c4cc5OCOc 5cc4C3 |
(1S,13S,15S,16S)-16-methoxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.013,18]nonadeca-2,4(8),9,17-tetraen-15-ol; Montanine |
| 17706 |  A1L8G |
1 | C11 H12 N2 O S | InChI=1S/C11H12N2OS/c1-13 (10-5-3-2-4-6-10)11-12-9( 7-14)8-15-11/h2-6,8,14H,7 H2,1H3; ZDTJXRHMIPGVKX-UHFFFAOYSA-N |
CN(c1scc(CO)n1)c2ccccc2; CN(c1ccccc1)c2n c(cs2)CO |
[2-[methyl(phenyl)amino]-1,3-thiazol-4-yl]methanol |
| 17707 |  A1L8H |
0 | C4 H2 Cl N O2 S | InChI=1S/C4H2ClNO2S/c5-4- 6-2(1-9-4)3(7)8/h1H,(H,7, 8); UVYJJJQMZPCYKY-UHFFFAOYSA-N |
c1c(nc(s1)Cl)C(=O)O; OC(=O)c1csc(Cl)n1 | 2-chloranyl-1,3-thiazole-4-carboxylic acid |
| 17708 |  A1L8I |
0 | C7 H14 N2 O2 | InChI=1S/C7H14N2O2/c8-6(4 -10)3-5-1-2-9-7(5)11/h5-6 ,10H,1-4,8H2,(H,9,11)/t5- ,6-/m0/s1; AVANYHSFGMYIBM-WDSKDSINSA-N |
C1CNC(=O)C1CC(CO)N; N[CH](CO)C[CH]1CCNC1 =O; C1CNC(=O)[C@@H]1C[C@@H](CO)N; N[C@H] (CO)C[C@@H]1CCNC1=O |
(3~{S})-3-[(2~{S})-2-azanyl-3-oxidanyl-propyl]pyrrolidin-2-one |
| 17709 |  A1L8J |
1 | C25 H30 O3 | InChI=1S/C25H30O3/c1-17(2 )9-7-10-18(3)11-8-12-19(4 )15-16-22-23(26)20-13-5-6 -14-21(20)24(27)25(22)28/ h5-6,9,11,13-15,28H,7-8,1 0,12,16H2,1-4H3/b18-11+,1 9-15+; RVUBWVZWMHPOJL-CFBAGHHKSA-N |
CC(=CCCC(=CCCC(=CCC1=C(C(=O)c2ccccc2C1=O )O)C)C)C; CC(C)=CCCC(/C)=C/CCC(/C)=C/CC1 =C(O)C(=O)c2ccccc2C1=O; CC(=CCC/C(=C/CC/ C(=C/CC1=C(C(=O)c2ccccc2C1=O)O)/C)/C)C; CC(C)=CCCC(C)=CCCC(C)=CCC1=C(O)C(=O)c2cc ccc2C1=O |
2-HYDROXY-3-FARNESYL-1,4-NAPHTHOQUINONE; 2-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]naphthalene-1,4-dione |
| 17710 |  A1L8K |
1 | C35 H38 Cl F N4 O5 | InChI=1S/C35H38ClFN4O5/c1 -20-15-40(21(2)14-38(20)3 )23-9-10-27(30(36)11-23)3 4(42)39-16-22-5-4-6-26(33 (22)46-19-39)28-13-32(29( 35(43)44)12-31(28)37)41-2 4-7-8-25(41)18-45-17-24/h 4-6,9-13,20-21,24-25H,7-8 ,14-19H2,1-3H3,(H,43,44)/ t20-,21-,24-,25+/m1/s1; DDERPJUWCXEREZ-YENTXNKWSA-N |
C[C@@H]1CN([C@@H](CN1c2ccc(c(c2)Cl)C(=O) N3Cc4cccc(c4OC3)c5cc(c(cc5F)C(=O)O)N6[C@ @H]7CC[C@H]6COC7)C)C; CC1CN(C(CN1c2ccc(c (c2)Cl)C(=O)N3Cc4cccc(c4OC3)c5cc(c(cc5F) C(=O)O)N6C7CCC6COC7)C)C; C[CH]1CN([CH](C )CN1C)c2ccc(c(Cl)c2)C(=O)N3COc4c(C3)cccc 4c5cc(N6[CH]7CC[CH]6COC7)c(cc5F)C(O)=O; C[C@@H]1CN([C@H](C)CN1C)c2ccc(c(Cl)c2)C( =O)N3COc4c(C3)cccc4c5cc(N6[C@H]7CC[C@@H] 6COC7)c(cc5F)C(O)=O |
4-[3-[2-chloro-4-[(2R,5R)-2,4,5-trimethylpiperazin-1-yl]benzoyl]-2,4-dihydro-1,3-benzoxazin-8-yl]-5-fluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)benzoic acid |
| 17711 |  A1L8M |
0 | C32 H58 O5 | InChI=1S/C32H58O5/c1-3-5- 7-9-11-13-15-17-19-21-23- 25-27-32(35)37-30(28-33)2 9-36-31(34)26-24-22-20-18 -16-14-12-10-8-6-4-2/h10- 13,30,33H,3-9,14-29H2,1-2 H3/b12-10+,13-11-/t30-/m0 /s1; BXDNXAULBWUASM-MBCKKLRHSA-N |
CCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O) CCCCCCC/C=C/CCCC; CCCCCC=CCCCCCCCC(=O)O[ CH](CO)COC(=O)CCCCCCCC=CCCCC; CCCCC\C=C/ CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C= C/CCCC; CCCCCC=CCCCCCCCC(=O)OC(CO)COC(=O )CCCCCCCC=CCCCC |
[(2S)-1-oxidanyl-3-[(E)-tetradec-9-enoyl]oxy-propan-2-yl] (Z)-pentadec-9-enoate |
| 17712 |  A1L8N CHEMBL1192540 |
1 | C10 H14 N2 | InChI=1S/C10H14N2/c1-8-4- 5-10(9(2)6-8)12-7-11-3/h4 -7H,1-3H3,(H,11,12); JIIOLEGNERQDIP-UHFFFAOYSA-N |
Cc1ccc(c(c1)C)N=CNC; Cc1ccc(c(c1)C)/N=C/ NC; CNC=Nc1ccc(C)cc1C |
~{N}'-(2,4-dimethylphenyl)-~{N}-methyl-methanimidamide |
| 17713 |  A1L8O |
1 | C17 H17 N3 O2 S | InChI=1S/C17H17N3O2S/c1-1 1-9-23-10-14(11)17-19-15( 20-22-17)8-16(21)18-12(2) 13-6-4-3-5-7-13/h3-7,9-10 ,12H,8H2,1-2H3,(H,18,21)/ t12-/m0/s1; GKIJGQUFZLYJHC-LBPRGKRZSA-N |
C[CH](NC(=O)Cc1noc(n1)c2cscc2C)c3ccccc3; Cc1cscc1c2nc(no2)CC(=O)N[C@@H](C)c3cccc c3; C[C@H](NC(=O)Cc1noc(n1)c2cscc2C)c3cc ccc3; Cc1cscc1c2nc(no2)CC(=O)NC(C)c3cccc c3 |
2-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]-~{N}-[(1~{S})-1-phenylethyl]ethanamide |
| 17714 |  A1L8P |
2 | C10 H12 O7 | InChI=1S/C10H12O7/c11-3-5 -15-9(13)7-1-2-8(17-7)10( 14)16-6-4-12/h1-2,11-12H, 3-6H2; LGCKSNYTFLNOIN-UHFFFAOYSA-N |
OCCOC(=O)c1oc(cc1)C(=O)OCCO; c1cc(oc1C(= O)OCCO)C(=O)OCCO |
bis(2-hydroxyethyl) furan-2,5-dicarboxylate |
| 17715 |  A1L8Q |
3 | C61 H88 O2 | InChI=1S/C61H88O2/c1-46(2 )24-15-25-47(3)26-16-27-4 8(4)28-17-29-49(5)30-18-3 1-50(6)32-19-33-51(7)34-2 0-35-52(8)36-21-37-53(9)3 8-22-39-54(10)40-23-41-55 (11)44-45-57-56(12)60(62) 58-42-13-14-43-59(58)61(5 7)63/h13-14,24,26,28,30,3 2,34,36,38,40,42-44H,15-2 3,25,27,29,31,33,35,37,39 ,41,45H2,1-12H3/b47-26-,4 8-28+,49-30+,50-32-,51-34 +,52-36+,53-38+,54-40+,55 -44+; OCQQATZYCNAKQB-JWYOJCMDSA-N |
CC(C)=CCC\C(C)=C/CC/C(C)=C/CC/C(C)=C/CC\ C(C)=C/CC\C(C)=C\CC\C(C)=C\CC/C(C)=C/CC/ C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1 =O; CC1=C(C(=O)c2ccccc2C1=O)CC=C(C)CCC=C (C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C (C)CCC=C(C)CCC=C(C)CCC=C(C)C; CC1=C(C(=O )c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C= C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\C C/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\CCC=C(C) C; CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C) =CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C) =CCC1=C(C)C(=O)c2ccccc2C1=O |
Menaquinone 10; menaquinone-10 |
| 17716 |  A1L8R CHEMBL38433 |
0 | C36 H38 N6 | InChI=1S/C36H38N6/c1-5-15 -31-27(11-1)35(28-12-2-6- 16-32(28)39-31)37-19-9-21 -41-23-25-42(26-24-41)22- 10-20-38-36-29-13-3-7-17- 33(29)40-34-18-8-4-14-30( 34)36/h1-8,11-18H,9-10,19 -26H2,(H,37,39)(H,38,40); AAMSBOZZFRTUFD-UHFFFAOYSA-N |
c1ccc2c(c1)c(c3ccccc3n2)NCCCN4CCN(CC4)CC CNc5c6ccccc6nc7c5cccc7; C(CNc1c2ccccc2nc 3ccccc13)CN4CCN(CCCNc5c6ccccc6nc7ccccc57 )CC4 |
N-[3-[4-[3-(acridin-9-ylamino)propyl]piperazin-1-yl]propyl]acridin-9-amine |
| 17717 |  A1L8S |
0 | C4 H12 N O5 P | InChI=1S/C4H12NO5P/c1-3(6 )4(5)2-10-11(7,8)9/h3-4,6 H,2,5H2,1H3,(H2,7,8,9)/t3 -,4-/m0/s1; FUMMRDYMVGSHMU-IMJSIDKUSA-N |
C[C@H](O)[C@@H](N)CO[P](O)(O)=O; C[C@@H] ([C@H](COP(=O)(O)O)N)O; C[CH](O)[CH](N)C O[P](O)(O)=O; CC(C(COP(=O)(O)O)N)O |
acyclic D-threoninol nucleic acid ; [(2~{S},3~{S})-2-azanyl-3-oxidanyl-butyl] dihydrogen phosphate |
| 17718 |  A1L8T |
4 | C35 H44 F2 N8 O3 | InChI=1S/C35H44F2N8O3/c1- 3-35(46)41-28-19-29(40-33 -21-34(39-22-38-33)45-30( 8-15-48-45)23-16-24(36)18 -25(37)17-23)32(47-2)20-3 1(28)44-9-6-27(7-10-44)43 -13-11-42(12-14-43)26-4-5 -26/h16-22,26-27,30H,3-15 H2,1-2H3,(H,41,46)(H,38,3 9,40)/t30-/m1/s1; SZLYMLSXCABOBL-SSEXGKCCSA-N |
CCC(=O)Nc1cc(Nc2cc(ncn2)N3OCC[CH]3c4cc(F )cc(F)c4)c(OC)cc1N5CCC(CC5)N6CCN(CC6)C7C C7; CCC(=O)Nc1cc(Nc2cc(ncn2)N3OCC[C@@H]3 c4cc(F)cc(F)c4)c(OC)cc1N5CCC(CC5)N6CCN(C C6)C7CC7; CCC(=O)Nc1cc(c(cc1N2CCC(CC2)N3 CCN(CC3)C4CC4)OC)Nc5cc(ncn5)N6[C@H](CCO6 )c7cc(cc(c7)F)F; CCC(=O)Nc1cc(c(cc1N2CCC (CC2)N3CCN(CC3)C4CC4)OC)Nc5cc(ncn5)N6C(C CO6)c7cc(cc(c7)F)F |
~{N}-[5-[[6-[(3~{R})-3-[3,5-bis(fluoranyl)phenyl]-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-2-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-4-methoxy-phenyl]propanamide |
| 17719 |  A1L8X CHEMBL309263 |
2 | C17 H14 O7 | InChI=1S/C17H14O7/c1-22-1 2-4-3-8(5-10(12)19)16-17( 23-2)15(21)14-11(20)6-9(1 8)7-13(14)24-16/h3-7,18-2 0H,1-2H3; ZSPZNFOLWQEVQJ-UHFFFAOYSA-N |
COc1ccc(cc1O)C2=C(OC)C(=O)c3c(O)cc(O)cc3 O2; COc1ccc(cc1O)C2=C(C(=O)c3c(cc(cc3O2) O)O)OC |
3-methoxy-2-(4-methoxy-3-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one |
| 17720 |  A1L8Z |
4 | C31 H33 F2 N3 O3 | InChI=1S/C31H33F2N3O3/c32 -28-18-24(6-7-25(28)19-30 (37)34-21-22-4-2-1-3-5-22 )23-8-10-26(11-9-23)39-17 -16-35-12-14-36(15-13-35) 31(38)27-20-29(27)33/h1-1 1,18,27,29H,12-17,19-21H2 ,(H,34,37)/t27-,29-/m0/s1; QTHCUQVFHXICRM-YTMVLYRLSA-N |
c1ccc(cc1)CNC(=O)Cc2ccc(cc2F)c3ccc(cc3)O CCN4CCN(CC4)C(=O)C5CC5F; c1ccc(cc1)CNC(= O)Cc2ccc(cc2F)c3ccc(cc3)OCCN4CCN(CC4)C(= O)[C@H]5C[C@@H]5F; F[C@H]1C[C@@H]1C(=O)N 2CCN(CCOc3ccc(cc3)c4ccc(CC(=O)NCc5ccccc5 )c(F)c4)CC2; F[CH]1C[CH]1C(=O)N2CCN(CCOc 3ccc(cc3)c4ccc(CC(=O)NCc5ccccc5)c(F)c4)C C2 |
2-[2-fluoranyl-4-[4-[2-[4-[(1~{R},2~{S})-2-fluoranylcyclopropyl]carbonylpiperazin-1-yl]ethoxy]phenyl]phenyl]-~{N}-(phenylmethyl)ethanamide |
| 17721 |  A1L97 |
0 | C16 H15 N5 O2 | InChI=1S/C16H15N5O2/c17-1 3(16(22)23)9-11-4-6-12(7- 5-11)21-10-15(19-20-21)14 -3-1-2-8-18-14/h1-8,10,13 H,9,17H2,(H,22,23)/t13-/m 0/s1; LYZLDWFSXMDDEC-ZDUSSCGKSA-N |
c1ccnc(c1)c2cn(nn2)c3ccc(cc3)C[C@@H](C(= O)O)N; c1ccnc(c1)c2cn(nn2)c3ccc(cc3)CC(C (=O)O)N; N[CH](Cc1ccc(cc1)n2cc(nn2)c3ccc cn3)C(O)=O; N[C@@H](Cc1ccc(cc1)n2cc(nn2) c3ccccn3)C(O)=O |
(2~{S})-2-azanyl-3-[4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)phenyl]propanoic acid |
| 17722 |  A1L98 CHEMBL3962296 |
2 | C30 H32 N2 O8 S2 | InChI=1S/C30H32N2O8S2/c1- 3-39-22-12-16-24(17-13-22 )41(35,36)31-28-20-21(8-7 -11-29(33)34)30(27-10-6-5 -9-26(27)28)32-42(37,38)2 5-18-14-23(15-19-25)40-4- 2/h5-6,9-10,12-20,31-32H, 3-4,7-8,11H2,1-2H3,(H,33, 34); KVAYHZPJAGMVIR-UHFFFAOYSA-N |
CCOc1ccc(cc1)[S](=O)(=O)Nc2cc(CCCC(O)=O) c(N[S](=O)(=O)c3ccc(OCC)cc3)c4ccccc24; C COc1ccc(cc1)S(=O)(=O)Nc2cc(c(c3c2cccc3)N S(=O)(=O)c4ccc(cc4)OCC)CCCC(=O)O |
4-[1,4-bis[(4-ethoxyphenyl)sulfonylamino]naphthalen-2-yl]butanoic acid |
| 17723 |  A1L99 |
1 | C35 H34 Cl2 F N3 O6 | InChI=1S/C35H34Cl2FN3O6/c 1-45-23-11-35(12-23)16-40 (17-35)22-7-27(36)31(28(3 7)8-22)33(42)39-13-19-3-2 -4-24(32(19)47-18-39)25-1 0-30(26(34(43)44)9-29(25) 38)41-20-5-6-21(41)15-46- 14-20/h2-4,7-10,20-21,23H ,5-6,11-18H2,1H3,(H,43,44 )/t20-,21+; SUMJVNYSGGDBGI-OYRHEFFESA-N |
COC1CC2(C1)CN(C2)c3cc(Cl)c(c(Cl)c3)C(=O) N4COc5c(C4)cccc5c6cc(N7[C@H]8CC[C@@H]7CO C8)c(cc6F)C(O)=O; COC1CC2(C1)CN(C2)c3cc( c(c(c3)Cl)C(=O)N4Cc5cccc(c5OC4)c6cc(c(cc 6F)C(=O)O)N7C8CCC7COC8)Cl; COC1CC2(C1)CN (C2)c3cc(Cl)c(c(Cl)c3)C(=O)N4COc5c(C4)cc cc5c6cc(N7[CH]8CC[CH]7COC8)c(cc6F)C(O)=O ; COC1CC2(C1)CN(C2)c3cc(c(c(c3)Cl)C(=O)N 4Cc5cccc(c5OC4)c6cc(c(cc6F)C(=O)O)N7[C@@ H]8CC[C@H]7COC8)Cl |
4-[3-[2,6-dichloro-4-(6-methoxy-2-azaspiro[3.3]heptan-2-yl)benzoyl]-2,4-dihydro-1,3-benzoxazin-8-yl]-5-fluoro-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)benzoic acid |
| 17724 |  A1L9B CHEMBL1762621 DB05983 |
6 | C32 H43 N O4 | InChI=1S/C32H43NO4/c1-27( 2)11-13-32(26(36)37-8)14- 12-31(7)24(20(32)17-27)21 (34)15-23-29(5)16-19(18-3 3)25(35)28(3,4)22(29)9-10 -30(23,31)6/h15-16,20,22, 24H,9-14,17H2,1-8H3/t20?, 22?,24?,29-,30+,31+,32-/m 0/s1; WPTTVJLTNAWYAO-UFHYVYMVSA-N |
COC(=O)[C]12CCC(C)(C)C[CH]1[CH]3C(=O)C=C 4[C](C)(CC[CH]5C(C)(C)C(=O)C(=C[C]45C)C# N)[C]3(C)CC2; COC(=O)[C@]12CCC(C)(C)C[C@ H]1[C@H]3C(=O)C=C4[C@@](C)(CC[C@H]5C(C)( C)C(=O)C(=C[C@]45C)C#N)[C@]3(C)CC2; CC1( CCC2(CCC3(C(C2C1)C(=O)C=C4C3(CCC5C4(C=C( C(=O)C5(C)C)C#N)C)C)C)C(=O)OC)C; C[C@@]1 2CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2 (CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C )(C)C)C(=O)OC |
methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-bis(oxidanylidene)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate; CDDO-Me |
| 17725 |  A1L9C |
1 | C19 H21 N3 O7 S | InChI=1S/C19H21N3O7S/c1-1 2(23)20-14-2-4-15(5-3-14) 30(28,29)22-8-6-21(7-9-22 )19(27)13-10-16(24)18(26) 17(25)11-13/h2-5,10-11,24 -26H,6-9H2,1H3,(H,20,23); NFOKZCLOJWTFRN-UHFFFAOYSA-N |
CC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O )c3cc(c(c(c3)O)O)O; CC(=O)Nc1ccc(cc1)[S] (=O)(=O)N2CCN(CC2)C(=O)c3cc(O)c(O)c(O)c3 |
~{N}-[4-[4-[3,4,5-tris(oxidanyl)phenyl]carbonylpiperazin-1-yl]sulfonylphenyl]ethanamide |
| 17726 |  A1L9D |
2 | C32 H31 N3 O7 S2 | InChI=1S/C32H31N3O7S2/c1- 3-41-24-11-15-26(16-12-24 )43(37,38)33-30-21-23(22- 31(36)35-19-7-8-20-35)32( 29-10-6-5-9-28(29)30)34-4 4(39,40)27-17-13-25(14-18 -27)42-4-2/h5-21,33-34H,3 -4,22H2,1-2H3; KDYIBFKQLTXJDP-UHFFFAOYSA-N |
CCOc1ccc(cc1)[S](=O)(=O)Nc2cc(CC(=O)n3cc cc3)c(N[S](=O)(=O)c4ccc(OCC)cc4)c5ccccc2 5; CCOc1ccc(cc1)S(=O)(=O)Nc2cc(c(c3c2ccc c3)NS(=O)(=O)c4ccc(cc4)OCC)CC(=O)n5cccc5 |
4-ethoxy-~{N}-[4-[(4-ethoxyphenyl)sulfonylamino]-3-(2-oxidanylidene-2-pyrrol-1-yl-ethyl)naphthalen-1-yl]benzenesulfonamide |
| 17727 |  A1L9E |
1 | C40 H48 F3 N7 O4 | InChI=1S/C40H48F3N7O4/c1- 4-32(51)50-22-39(23-50)12 -17-49(18-13-39)37-29-20- 28(26-7-8-26)34(33-25(2)6 -9-31-30(33)21-44-47-31)3 6(53-24-40(41,42)43)35(29 )45-38(46-37)54-27-10-15- 48(16-11-27)14-5-19-52-3/ h4,6,9,20-21,26-27H,1,5,7 -8,10-19,22-24H2,2-3H3,(H ,44,47); VEXDXXFHISGELS-UHFFFAOYSA-N |
Cc1ccc2c(c1c3c(cc4c(c3OCC(F)(F)F)nc(nc4N 5CCC6(CC5)CN(C6)C(=O)C=C)OC7CCN(CC7)CCCO C)C8CC8)c[nH]n2; COCCCN1CCC(CC1)Oc2nc(N3 CCC4(CC3)CN(C4)C(=O)C=C)c5cc(C6CC6)c(c(O CC(F)(F)F)c5n2)c7c(C)ccc8n[nH]cc78 |
ASP2453; 1-[7-[6-cyclopropyl-2-[1-(3-methoxypropyl)piperidin-4-yl]oxy-7-(5-methyl-2~{H}-indazol-4-yl)-8-[2,2,2-tris(fluoranyl)ethoxy]quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]prop-2-en-1-one |
| 17728 |  A1L9F CHEMBL4214687 |
0 | C20 H11 N O2 | InChI=1S/C20H11NO2/c22-17 -10-11-18(23)21(17)16-9-7 -14-5-4-12-2-1-3-13-6-8-1 5(16)20(14)19(12)13/h1-11 H; YXKWRQLPBHVBRP-UHFFFAOYSA-N |
c1cc2ccc3ccc(c4c3c2c(c1)cc4)N5C(=O)C=CC5 =O; O=C1C=CC(=O)N1c2ccc3ccc4cccc5ccc2c3c 45 |
N-(1-pyrenyl)maleimide; 1-pyren-1-ylpyrrole-2,5-dione |
| 17729 |  A1L9G |
2 | C20 H28 N10 O20 P4 | InChI=1S/C20H28N10O20P4/c 21-14-8-15(24-3-23-14)29( 4-25-8)18-12(33)10(31)6(4 6-18)1-44-51(36,37)48-53( 40,41)50-54(42,43)49-52(3 8,39)45-2-7-11(32)13(34)1 9(47-7)30-5-26-9-16(30)27 -20(22)28-17(9)35/h3-7,10 -13,18-19,31-34H,1-2H2,(H ,36,37)(H,38,39)(H,40,41) (H,42,43)(H2,21,23,24)(H3 ,22,27,28,35)/t6-,7?,10-, 11?,12-,13?,18-,19?/m1/s1; SJXJAXXRDJWRCR-ZAABGZRTSA-N |
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O P(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n 5cnc6c5N=C(NC6=O)N)O)O)O)O)N; NC1=Nc2n(c nc2C(=O)N1)C3OC(CO[P](O)(=O)O[P](O)(=O)O [P](O)(=O)O[P](O)(=O)OC[C@H]4O[C@H]([C@H ](O)[C@@H]4O)n5cnc6c(N)ncnc56)C(O)C3O; c 1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@ H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O) (O)OCC4C(C(C(O4)n5cnc6c5N=C(NC6=O)N)O)O) O)O)N; NC1=Nc2n(cnc2C(=O)N1)C3OC(CO[P](O )(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC [CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc5 6)C(O)C3O |
P1-(5'-Adenosyl) P4-(5'-guanosyl) tetraphosphate |
| 17730 |  A1L9H CHEMBL783 DB00731 |
2 | C19 H27 N O3 | InChI=1S/C19H27NO3/c1-13( 2)15-8-10-16(11-9-15)18(2 1)20-17(19(22)23)12-14-6- 4-3-5-7-14/h3-7,13,15-17H ,8-12H2,1-2H3,(H,20,21)(H ,22,23)/t15-,16+,17-/m0/s 1; OELFLUMRDSZNSF-BBWFWOEESA-N |
CC(C)[CH]1CC[CH](CC1)C(=O)N[CH](Cc2ccccc 2)C(O)=O; CC(C)C1CCC(CC1)C(=O)N[C@H](Cc2 ccccc2)C(=O)O; CC(C)[C@H]1CC[C@@H](CC1)C (=O)N[C@H](Cc2ccccc2)C(O)=O; CC(C)C1CCC( CC1)C(=O)NC(Cc2ccccc2)C(=O)O |
(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)carbonylamino]propanoic acid; nateglinide |
| 17731 |  A1L9Q |
0 | C10 H16 N3 O7 P S | InChI=1S/C10H16N3O7PS/c1- 18-8-7(14)5(4-19-21(15,16 )17)20-9(8)13-3-2-6(11)12 -10(13)22/h2-3,5,7-9,14H, 4H2,1H3,(H2,11,12,22)(H2, 15,16,17)/t5-,7-,8-,9-/m1 /s1; GWFOPAUVJXMOAL-ZOQUXTDFSA-N |
CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N 2C=CC(=NC2=S)N; CO[C@@H]1[C@H](O)[C@@H]( CO[P](O)(O)=O)O[C@H]1N2C=CC(=NC2=S)N; CO [C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=S )N)COP(=O)(O)O)O; COC1C(C(OC1N2C=CC(=NC2 =S)N)COP(=O)(O)O)O |
4-azanyl-1-[(2~{R},3~{R},4~{R},5~{R})-3-methoxy-4-oxidanyl-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]pyrimidine-2-thione |
| 17732 |  A1L9X |
0 | C6 H12 N2 O2 | InChI=1S/C6H12N2O2/c7-6(5 (9)10)1-3-8-4-2-6/h8H,1-4 ,7H2,(H,9,10); KHABBYNLBYZCKP-UHFFFAOYSA-N |
NC1(CCNCC1)C(O)=O; C1CNCCC1(C(=O)O)N | 4-azanylpiperidine-4-carboxylic acid; 4-Aminopiperidine-4-carboxylic acid |
| 17733 |  A1LTQ |
0 | C21 H32 N8 O15 P2 | InChI=1S/C21H32N8O15P2/c2 2-8(20(33)34)2-1-3-28-19- 15(43-21(28)24)13(31)10(4 2-19)5-40-46(37,38)44-45( 35,36)39-4-9-12(30)14(32) 18(41-9)29-7-27-11-16(23) 25-6-26-17(11)29/h6-10,12 -15,18-19,24,30-32H,1-5,2 2H2,(H,33,34)(H,35,36)(H, 37,38)(H2,23,25,26)/b24-2 1+/t8-,9+,10+,12+,13+,14+ ,15+,18+,19-/m0/s1; FAXYOCQOJNLOLJ-QFBBLTADSA-N |
N[CH](CCCN1[CH]2O[CH](CO[P](O)(=O)O[P](O )(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c( N)ncnc45)[CH](O)[CH]2OC1=N)C(O)=O; N[C@@ H](CCCN1[C@H]2O[C@H](CO[P](O)(=O)O[P](O) (=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cn c5c(N)ncnc45)[C@@H](O)[C@H]2OC1=N)C(O)=O ; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O )OP(=O)(O)OCC4C(C5C(O4)N(C(=N)O5)CCCC(C( =O)O)N)O)O)O)N; [H]/N=C/1\N(C2C(O1)C(C(O 2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5 c4ncnc5N)O)O)O)CCCC(C(=O)O)N |
ADP-RIBOXANATED ARGININE; 5-[5-[[[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-azanylidene-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-3-yl]-2-azanyl-pentanoic acid |
| 17734 |  A1LU0 |
1 | C13 H8 N2 O3 S | InChI=1S/C13H8N2O3S/c1-2- 8-4-3-5-9(6-8)14-13-15-12 (18)10(19-13)7-11(16)17/h 1,3-7H,(H,16,17)(H,14,15, 18); GQXBNBYNTFWKFU-UHFFFAOYSA-N |
C#Cc1cccc(c1)/N=C\2/NC(=O)C(=CC(=O)O)S2; OC(=O)C=C1SC(NC1=O)=Nc2cccc(c2)C#C; C#C c1cccc(c1)N=C2NC(=O)C(=CC(=O)O)S2; OC(=O )\C=C1/SC(NC1=O)=Nc2cccc(c2)C#C |
2-[(2~{Z})-2-(3-ethynylphenyl)imino-4-oxidanylidene-1,3-thiazolidin-5-ylidene]ethanoic acid |
| 17735 |  A1LU1 DB13710 |
1 | C20 H30 O2 | InChI=1S/C20H30O2/c1-12-1 0-14(21)11-13-4-5-15-16-6 -7-18(22)19(16,2)9-8-17(1 5)20(12,13)3/h10,13,15-18 ,22H,4-9,11H2,1-3H3/t13-, 15-,16-,17-,18-,19-,20-/m 0/s1; ANJQEDFWRSLVBR-VHUDCFPWSA-N |
CC1=CC(=O)C[CH]2CC[CH]3[CH]4CC[CH](O)[C] 4(C)CC[CH]3[C]12C; CC1=CC(=O)CC2C1(C3CCC 4(C(C3CC2)CCC4O)C)C; CC1=CC(=O)C[C@H]2[C @]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@ @H]4O)C)C; CC1=CC(=O)C[C@@H]2CC[C@H]3[C@ @H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]12C |
Metenolone; DB13710 |
| 17736 |  A1LU2 CHEMBL3359303 |
4 | C15 H17 N O3 | InChI=1S/C15H17NO3/c17-13 -4-1-11(2-5-13)7-8-16-10- 12-3-6-14(18)15(19)9-12/h 1-6,9,16-19H,7-8,10H2; YJYUDTAJVLORNV-UHFFFAOYSA-N |
Oc1ccc(CCNCc2ccc(O)c(O)c2)cc1; c1cc(ccc1 CCNCc2ccc(c(c2)O)O)O |
Norbelladine |
| 17737 |  A1LU4 |
4 | C27 H40 N8 O7 | InChI=1S/C27H40N8O7/c1-15 (2)22-25(41)33-17(10-7-11 -30-27(28)29)23(39)31-14- 20(36)32-18(13-21(37)38)2 4(40)34-19(26(42)35(22)3) 12-16-8-5-4-6-9-16/h4-6,8 -9,15,17-19,22H,7,10-14H2 ,1-3H3,(H,31,39)(H,32,36) (H,33,41)(H,34,40)(H,37,3 8)(H4,28,29,30)/t17-,18+, 19+,22-/m0/s1; AMLYAMJWYAIXIA-JYLXEMOASA-N |
CC(C)[CH]1N(C)C(=O)[CH](Cc2ccccc2)NC(=O) [CH](CC(O)=O)NC(=O)CNC(=O)[CH](CCCNC(N)= N)NC1=O; [H]/N=C(/N)\NCCC[C@H]1C(=O)NCC( =O)N[C@@H](C(=O)N[C@@H](C(=O)N([C@H](C(= O)N1)C(C)C)C)Cc2ccccc2)CC(=O)O; CC(C)C1C (=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1C)C c2ccccc2)CC(=O)O)CCCNC(=N)N; CC(C)[C@@H] 1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]( CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC 1=O |
2-[(2~{R},5~{R},8~{S},11~{S})-11-(3-carbamimidamidopropyl)-7-methyl-3,6,9,12,15-pentakis(oxidanylidene)-5-(phenylmethyl)-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]ethanoic acid |
| 17738 |  A1LU6 CHEMBL4764756 |
1 | C19 H15 Cl N4 O | InChI=1S/C19H15ClN4O/c20- 15-3-1-2-12(8-15)10-24-11 -14(5-7-18(24)25)13-4-6-1 6-17(9-13)22-23-19(16)21/ h1-9,11H,10H2,(H3,21,22,2 3); YQVUADHJKWJHAF-UHFFFAOYSA-N |
Nc1n[nH]c2cc(ccc12)C3=CN(Cc4cccc(Cl)c4)C (=O)C=C3; c1cc(cc(c1)Cl)CN2C=C(C=CC2=O)c 3ccc4c(c3)[nH]nc4N |
5-(3-azanyl-1~{H}-indazol-6-yl)-1-[(3-chlorophenyl)methyl]pyridin-2-one |
| 17739 |  A1LU7 |
4 | C27 H41 N9 O7 | InChI=1S/C27H41N9O7/c28-1 1-5-4-9-18-24(41)34-17(10 -6-12-31-27(29)30)23(40)3 2-15-21(37)33-20(14-22(38 )39)26(43)36-19(25(42)35- 18)13-16-7-2-1-3-8-16/h1- 3,7-8,17-20H,4-6,9-15,28H 2,(H,32,40)(H,33,37)(H,34 ,41)(H,35,42)(H,36,43)(H, 38,39)(H4,29,30,31)/t17-, 18-,19+,20+/m0/s1; NVHPXYIRNJFKTE-VNTMZGSJSA-N |
NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O )[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC (N)=N)NC1=O; c1ccc(cc1)CC2C(=O)NC(C(=O)N C(C(=O)NCC(=O)NC(C(=O)N2)CC(=O)O)CCCNC(= N)N)CCCCN; [H]/N=C(/N)\NCCC[C@H]1C(=O)NC C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C( =O)N1)CCCCN)Cc2ccccc2)CC(=O)O; NCCCC[CH] 1NC(=O)[CH](Cc2ccccc2)NC(=O)[CH](CC(O)=O )NC(=O)CNC(=O)[CH](CCCNC(N)=N)NC1=O |
2-[(2~{R},5~{R},8~{S},11~{S})-8-(4-azanylbutyl)-11-(3-carbamimidamidopropyl)-3,6,9,12,15-pentakis(oxidanylidene)-5-(phenylmethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]ethanoic acid |
| 17740 |  A1LU8 CHEMBL3604794 |
10 | C21 H18 F2 N2 O2 | InChI=1S/C21H18F2N2O2/c22 -19-11-15(12-20(23)21(19) 26)18-13-24-6-5-17(18)14- 1-3-16(4-2-14)25-7-9-27-1 0-8-25/h1-6,11-13,26H,7-1 0H2; YUYJEQHNWKQNBT-UHFFFAOYSA-N |
Oc1c(F)cc(cc1F)c2cnccc2c3ccc(cc3)N4CCOCC 4; c1cc(ccc1c2ccncc2c3cc(c(c(c3)F)O)F)N4 CCOCC4 |
2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol |
| 17741 |  A1LU9 CHEMBL5077469 |
12 | C15 H14 N2 O4 | InChI=1S/C15H14N2O4/c1-9( 18)13-7-8-14(21-13)15(20) 17-12-5-3-11(4-6-12)16-10 (2)19/h3-8H,1-2H3,(H,16,1 9)(H,17,20); VLEXAUHLNJBZLL-UHFFFAOYSA-N |
CC(=O)Nc1ccc(NC(=O)c2oc(cc2)C(C)=O)cc1; CC(=O)c1ccc(o1)C(=O)Nc2ccc(cc2)NC(=O)C |
N-(4-acetamidophenyl)-5-ethanoyl-furan-2-carboxamide |
| 17742 |  A1LUD CHEMBL45024 |
1 | C6 H14 N O2 S | InChI=1S/C6H13NO2S/c1-10( 2)4-3-5(7)6(8)9/h5H,3-4,7 H2,1-2H3/p+1/t5-/m0/s1; YDBYJHTYSHBBAU-YFKPBYRVSA-O |
C[S+](C)CC[CH](N)C(O)=O; C[S+](C)CCC(C(= O)O)N; C[S+](C)CC[C@H](N)C(O)=O |
S-METHYL-METHIONINE; (3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-dimethyl-sulfanium |
| 17743 |  A1LUT |
0 | C4 H8 N2 O4 | InChI=1S/C4H8N2O4/c5-1(4( 9)10)2(7)3(6)8/h1-2,7H,5H 2,(H2,6,8)(H,9,10)/t1-,2+ /m0/s1; VQTLPSCRBFYDNX-NHYDCYSISA-N |
N[C@@H]([C@@H](O)C(N)=O)C(O)=O; C(C(C(=O )N)O)(C(=O)O)N; N[CH]([CH](O)C(N)=O)C(O) =O |
(3R)-3-HYDROXY-ASPARAGINE; 2,4-bis(azanyl)-3-oxidanyl-4-oxidanylidene-butanoic acid |
| 17744 |  A1LUV |
0 | C6 H15 N2 O3 | InChI=1S/C6H14N2O3/c7-3-4 (9)1-2-5(8)6(10)11/h4-5,9 H,1-3,7-8H2,(H,10,11)/p+1 /t4-,5-/m0/s1; YSMODUONRAFBET-WHFBIAKZSA-O |
N[CH](CC[CH](O)C[NH3+])C(O)=O; C(CC(C(=O )O)N)C(C[NH3+])O; N[C@@H](CC[C@H](O)C[NH 3+])C(O)=O |
(5S)-5-HYDROXY-LYSINE; [5-azanyl-2,6-bis(oxidanyl)-6-oxidanylidene-hexyl]azanium |
| 17745 |  A1LUZ CHEMBL589186 |
4 | C5 H3 N O4 S | InChI=1S/C5H3NO4S/c7-3(8) 1-2-4(9)6-5(10)11-2/h1H,( H,7,8)(H,6,9,10); GZMAUGAAAMRIDY-UHFFFAOYSA-N |
OC(=O)\C=C\1SC(=O)NC\1=O; C(=C1C(=O)NC(= O)S1)C(=O)O; OC(=O)C=C1SC(=O)NC1=O |
2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]ethanoic acid |
| 17746 |  A1LV1 |
4 | C22 H16 Cl F3 N10 O2 | InChI=1S/C22H16ClF3N10O2/ c1-11-6-12(9-27)7-14(19(3 7)28-2)17(11)30-20(38)16- 8-13(10-35-33-21(31-34-35 )22(24,25)26)32-36(16)18- 15(23)4-3-5-29-18/h3-8H,1 0H2,1-2H3,(H,28,37)(H,30, 38); KNDVJPKNBVIKML-UHFFFAOYSA-N |
CNC(=O)c1cc(cc(C)c1NC(=O)c2cc(Cn3nnc(n3) C(F)(F)F)nn2c4ncccc4Cl)C#N; Cc1cc(cc(c1N C(=O)c2cc(nn2c3c(cccn3)Cl)Cn4nc(nn4)C(F) (F)F)C(=O)NC)C#N |
tetraniliprole; 2-(3-chloropyridin-2-yl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide |
| 17747 |  A1LV3 CHEMBL5562590 |
2 | C38 H40 Cl F N4 O8 | InChI=1S/C38H40ClFN4O8/c3 9-31-18-27(20-41-34(21-45 )38(47)48)35(50-22-24-8-9 -32-33(16-24)43-52-42-32) 19-36(31)51-23-26-5-2-7-3 0(37(26)40)25-4-1-6-29(17 -25)49-15-3-12-44-13-10-2 8(46)11-14-44/h1-2,4-9,16 -19,28,34,41,45-46H,3,10- 15,20-23H2,(H,47,48)/t34- /m1/s1; CVHGLSHXHMFDJX-UUWRZZSWSA-N |
c1cc(cc(c1)OCCCN2CCC(CC2)O)c3cccc(c3F)CO c4cc(c(cc4Cl)CN[C@H](CO)C(=O)O)OCc5ccc6c (c5)non6; OC[CH](NCc1cc(Cl)c(OCc2cccc(c2 F)c3cccc(OCCCN4CCC(O)CC4)c3)cc1OCc5ccc6n onc6c5)C(O)=O; OC[C@@H](NCc1cc(Cl)c(OCc2 cccc(c2F)c3cccc(OCCCN4CCC(O)CC4)c3)cc1OC c5ccc6nonc6c5)C(O)=O; c1cc(cc(c1)OCCCN2C CC(CC2)O)c3cccc(c3F)COc4cc(c(cc4Cl)CNC(C O)C(=O)O)OCc5ccc6c(c5)non6 |
(2~{R})-2-[[2-(2,1,3-benzoxadiazol-5-ylmethoxy)-5-chloranyl-4-[[2-fluoranyl-3-[3-[3-(4-oxidanylpiperidin-1-yl)propoxy]phenyl]phenyl]methoxy]phenyl]methylamino]-3-oxidanyl-propanoic acid |
| 17748 |  A1LV4 |
4 | C27 H31 N7 O3 | InChI=1S/C27H31N7O3/c1-16 -18(11-33-14-23(35)24(15- 33)37-3)12-34(31-16)25-8- 9-28-27(30-25)29-19-6-7-2 2-20(10-19)21(13-32(22)2) 26(36)17-4-5-17/h6-10,12- 13,17,23-24,35H,4-5,11,14 -15H2,1-3H3,(H,28,29,30)/ t23-,24-/m0/s1; CBNDBWHBUUWRCT-ZEQRLZLVSA-N |
Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(cn4C) C(=O)C5CC5)CN6C[C@@H]([C@H](C6)OC)O; CO[ C@H]1CN(C[C@@H]1O)Cc2cn(nc2C)c3ccnc(Nc4c cc5n(C)cc(C(=O)C6CC6)c5c4)n3; CO[CH]1CN( C[CH]1O)Cc2cn(nc2C)c3ccnc(Nc4ccc5n(C)cc( C(=O)C6CC6)c5c4)n3; Cc1c(cn(n1)c2ccnc(n2 )Nc3ccc4c(c3)c(cn4C)C(=O)C5CC5)CN6CC(C(C 6)OC)O |
cyclopropyl-[5-[[4-[4-[[(3~{S},4~{S})-3-methoxy-4-oxidanyl-pyrrolidin-1-yl]methyl]-3-methyl-pyrazol-1-yl]pyrimidin-2-yl]amino]-1-methyl-indol-3-yl]methanone |
| 17749 |  A1LV5 CHEMBL5542607 |
2 | C20 H26 Cl2 N10 | InChI=1S/C20H26Cl2N10/c21 -13-3-7-15(8-4-13)29-19(2 5)31-17(23)27-11-1-2-12-2 8-18(24)32-20(26)30-16-9- 5-14(22)6-10-16/h3-10H,1- 2,11-12H2,(H5,23,25,27,29 ,31)(H5,24,26,28,30,32); LOQFOZRLPPGNQV-UHFFFAOYSA-N |
c1cc(ccc1NC(=N)NC(=N)NCCCCNC(=N)NC(=N)Nc 2ccc(cc2)Cl)Cl; [H]/N=C(\N/C(=N/[H])/Nc1 ccc(cc1)Cl)/NCCCCN/C(=N/[H])/N/C(=N/[H]) /Nc2ccc(cc2)Cl; Clc1ccc(NC(=N)NC(=N)NCCC CNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1 |
1-(4-chlorophenyl)-3-[~{N}-[4-[[~{N}-[~{N}-(4-chlorophenyl)carbamimidoyl]carbamimidoyl]amino]butyl]carbamimidoyl]guanidine |
| 17750 |  A1LV6 |
2 | C26 H30 N8 O3 | InChI=1S/C26H30N8O3/c1-15 -17(10-33-13-21(35)22(14- 33)37-3)11-34(31-15)23-6- 7-27-26(30-23)29-18-8-19- 20(24(36)16-4-5-16)12-32( 2)25(19)28-9-18/h6-9,11-1 2,16,21-22,35H,4-5,10,13- 14H2,1-3H3,(H,27,29,30)/t 21-,22+/m0/s1; XJLACMXDBBMNAD-FCHUYYIVSA-N |
Cc1c(cn(n1)c2ccnc(n2)Nc3cc4c(cn(c4nc3)C) C(=O)C5CC5)CN6C[C@@H]([C@@H](C6)OC)O; Cc 1c(cn(n1)c2ccnc(n2)Nc3cc4c(cn(c4nc3)C)C( =O)C5CC5)CN6CC(C(C6)OC)O; CO[CH]1CN(C[CH ]1O)Cc2cn(nc2C)c3ccnc(Nc4cnc5n(C)cc(C(=O )C6CC6)c5c4)n3; CO[C@@H]1CN(C[C@@H]1O)Cc 2cn(nc2C)c3ccnc(Nc4cnc5n(C)cc(C(=O)C6CC6 )c5c4)n3 |
cyclopropyl-[5-[[4-[4-[[(3~{R},4~{S})-3-methoxy-4-oxidanyl-pyrrolidin-1-yl]methyl]-3-methyl-pyrazol-1-yl]pyrimidin-2-yl]amino]-1-methyl-pyrrolo[2,3-b]pyridin-3-yl]methanone |
| 17751 |  A1LV7 |
2 | C28 H32 F N7 O3 | InChI=1S/C28H32FN7O3/c1-1 7-19(12-34-15-24(37)25(16 -34)39-2)13-36(33-17)26-7 -9-30-28(32-26)31-20-5-6- 23-21(11-20)22(14-35(23)1 0-8-29)27(38)18-3-4-18/h5 -7,9,11,13-14,18,24-25,37 H,3-4,8,10,12,15-16H2,1-2 H3,(H,30,31,32)/t24-,25+/ m0/s1; BOEORZOOBBGDDF-LOSJGSFVSA-N |
CO[C@@H]1CN(C[C@@H]1O)Cc2cn(nc2C)c3ccnc( Nc4ccc5n(CCF)cc(C(=O)C6CC6)c5c4)n3; Cc1c (cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(cn4CCF)C( =O)C5CC5)CN6CC(C(C6)OC)O; Cc1c(cn(n1)c2c cnc(n2)Nc3ccc4c(c3)c(cn4CCF)C(=O)C5CC5)C N6C[C@@H]([C@@H](C6)OC)O; CO[CH]1CN(C[CH ]1O)Cc2cn(nc2C)c3ccnc(Nc4ccc5n(CCF)cc(C( =O)C6CC6)c5c4)n3 |
cyclopropyl-[1-(2-fluoranylethyl)-5-[[4-[4-[[(3~{R},4~{S})-3-methoxy-4-oxidanyl-pyrrolidin-1-yl]methyl]-3-methyl-pyrazol-1-yl]pyrimidin-2-yl]amino]indol-3-yl]methanone |
| 17752 |  A1LV8 |
1 | C24 H25 N5 O | InChI=1S/C24H25N5O/c1-3-1 7-5-8-23-27-24(17)21(4-1) 28-12-9-18(10-13-28)25-11 -2-14-30-19-6-7-20-22(15- 19)29(23)16-26-20/h1,3-8, 15-16,18,25H,2,9-14H2; NUEIFXSLMFVCPQ-UHFFFAOYSA-N |
c1cc2ccc-3nc2c(c1)N4CCC(CC4)NCCCOc5ccc6c (c5)n3cn6; C1CNC2CCN(CC2)c3cccc4ccc(nc34 )n5cnc6ccc(OC1)cc56 |
RH140 |
| 17753 |  A1LV9 |
1 | C16 H17 Cl O5 S | InChI=1S/C16H17ClO5S/c1-2 3(21,22)10-4-5-11(12(17)7 -10)16(20)13-14(18)8-2-3- 9(6-8)15(13)19/h4-5,7-9,1 3-14,18H,2-3,6H2,1H3/t8-, 9+,13+,14-/m0/s1; JOLMHOKSTKCQDK-DZLLMUEISA-N |
CS(=O)(=O)c1ccc(c(c1)Cl)C(=O)C2C(C3CCC(C 3)C2=O)O; C[S](=O)(=O)c1ccc(c(Cl)c1)C(=O )[CH]2[CH](O)[CH]3CC[CH](C3)C2=O; C[S](= O)(=O)c1ccc(c(Cl)c1)C(=O)[C@@H]2[C@@H](O )[C@H]3CC[C@H](C3)C2=O; CS(=O)(=O)c1ccc( c(c1)Cl)C(=O)[C@@H]2[C@H]([C@H]3CC[C@H]( C3)C2=O)O |
(1~{R},3~{R},4~{S},5~{S})-3-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-4-oxidanyl-bicyclo[3.2.1]octan-2-one |
| 17754 |  A1LVA |
3 | C17 H19 Cl N2 O5 S2 | InChI=1S/C17H19ClN2O5S2/c 1-12-4-7-16(25-2)17(10-12 )27(23,24)19-13-5-6-14(18 )15(11-13)20-8-3-9-26(20, 21)22/h4-7,10-11,19H,3,8- 9H2,1-2H3; PNCFQLGARJZZFI-UHFFFAOYSA-N |
Cc1ccc(c(c1)S(=O)(=O)Nc2ccc(c(c2)N3CCCS3 (=O)=O)Cl)OC; COc1ccc(C)cc1[S](=O)(=O)Nc 2ccc(Cl)c(c2)N3CCC[S]3(=O)=O |
N-[3-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]-4-chloranyl-phenyl]-2-methoxy-5-methyl-benzenesulfonamide |
| 17755 |  A1LVB CHEMBL5555245 |
1 | C24 H26 Cl F N2 O4 | InChI=1S/C24H26ClFN2O4/c1 -14-5-6-17(11-19(14)32-13 -24(3,4)12-27)21(15(2)23( 30)31)28-22(29)20(26)16-7 -9-18(25)10-8-16/h5-11,15 ,20-21H,13H2,1-4H3,(H,28, 29)(H,30,31); GXGNPULBKHMWLA-UHFFFAOYSA-N |
C[C@@H]([C@H](NC(=O)[C@@H](F)c1ccc(Cl)cc 1)c2ccc(C)c(OCC(C)(C)C#N)c2)C(O)=O; Cc1c cc(cc1OCC(C)(C)C#N)C(C(C)C(=O)O)NC(=O)C( c2ccc(cc2)Cl)F; C[CH]([CH](NC(=O)[CH](F) c1ccc(Cl)cc1)c2ccc(C)c(OCC(C)(C)C#N)c2)C (O)=O; Cc1ccc(cc1OCC(C)(C)C#N)[C@H]([C@@ H](C)C(=O)O)NC(=O)[C@H](c2ccc(cc2)Cl)F |
(2~{R},3~{S})-3-[[(2~{S})-2-(4-chlorophenyl)-2-fluoranyl-ethanoyl]amino]-3-[3-(2-cyano-2-methyl-propoxy)-4-methyl-phenyl]-2-methyl-propanoic acid |
| 17756 |  A1LVC CHEMBL5566007 |
1 | C27 H29 F N2 O4 | InChI=1S/C27H29FN2O4/c1-4 -34-23-6-5-15-29-22(23)16 -19-9-13-20(14-10-19)24(2 8)26(31)30-25(18(3)27(32) 33)21-11-7-17(2)8-12-21/h 5-15,18,24-25H,4,16H2,1-3 H3,(H,30,31)(H,32,33); BFXQKBUFKIVUSI-UHFFFAOYSA-N |
CCOc1cccnc1Cc2ccc(cc2)[C@@H](C(=O)N[C@H] (c3ccc(cc3)C)[C@@H](C)C(=O)O)F; CCOc1ccc nc1Cc2ccc(cc2)[C@H](F)C(=O)N[C@@H]([C@H] (C)C(O)=O)c3ccc(C)cc3; CCOc1cccnc1Cc2ccc (cc2)[CH](F)C(=O)N[CH]([CH](C)C(O)=O)c3c cc(C)cc3; CCOc1cccnc1Cc2ccc(cc2)C(C(=O)N C(c3ccc(cc3)C)C(C)C(=O)O)F |
(2~{R},3~{S})-3-[[(2~{S})-2-[4-[(3-ethoxypyridin-2-yl)methyl]phenyl]-2-fluoranyl-ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid |
| 17757 |  A1LVE |
4 | C12 H22 N2 O3 | InChI=1S/C12H22N2O3/c1-7( 2)6-9-11(16)14-10(12(17)1 3-9)8(3)4-5-15/h7-10,15H, 4-6H2,1-3H3,(H,13,17)(H,1 4,16); PBPDVGRYZDBSCX-UHFFFAOYSA-N |
CC(C)C[C@@H]1NC(=O)[C@@H](NC1=O)[C@@H](C )CCO; CC(C)C[CH]1NC(=O)[CH](NC1=O)[CH](C )CCO; CC(C)CC1C(=O)NC(C(=O)N1)C(C)CCO; C [C@@H](CCO)[C@H]1C(=O)N[C@H](C(=O)N1)CC( C)C |
(3S,6S)-3-(2-methylpropyl)-6-[(2S)-4-oxidanylbutan-2-yl]piperazine-2,5-dione |
| 17758 |  A1LVF CHEMBL4297656 DB13038 |
5 | C57 H104 O6 | InChI=1S/C57H104O6/c1-4-7 -10-13-16-19-22-25-28-31- 34-37-40-43-46-49-55(58)6 1-52-54(63-57(60)51-48-45 -42-39-36-33-30-27-24-21- 18-15-12-9-6-3)53-62-56(5 9)50-47-44-41-38-35-32-29 -26-23-20-17-14-11-8-5-2/ h25-30,54H,4-24,31-53H2,1 -3H3/b28-25-,29-26-,30-27 -; PHYFQTYBJUILEZ-IUPFWZBJSA-N |
CCCCCCCCC=CCCCCCCCC(=O)OC[CH](COC(=O)CCC CCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC ; CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCC CCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC; CCCCCCCC/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCC CCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC CCCC; CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H]( COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCC C\C=C/CCCCCCCC |
2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl (Z)-octadec-9-enoate; Glyceryl trioleate |
| 17759 |  A1LVG |
1 | C12 H22 N2 O4 | InChI=1S/C12H22N2O4/c1-7( 4-5-15)9-11(17)13-8(10(16 )14-9)6-12(2,3)18/h7-9,15 ,18H,4-6H2,1-3H3,(H,13,17 )(H,14,16)/t7-,8+,9?/m1/s 1; BJPOUTJDLWKJCE-WGTSGOJVSA-N |
CC(CCO)C1C(=O)NC(C(=O)N1)CC(C)(C)O; C[CH ](CCO)[CH]1NC(=O)[CH](CC(C)(C)O)NC1=O; C [C@@H](CCO)[C@@H]1NC(=O)[C@H](CC(C)(C)O) NC1=O; C[C@@H](CCO)[C@H]1C(=O)N[C@H](C(= O)N1)CC(C)(C)O |
(3~{S},6~{S})-3-(2-methyl-2-oxidanyl-propyl)-6-[(2~{S})-4-oxidanylbutan-2-yl]piperazine-2,5-dione |
| 17760 |  A1LVH |
1 | C12 H22 N2 O2 | InChI=1S/C12H22N2O2/c1-5- 8(4)10-12(16)13-9(6-7(2)3 )11(15)14-10/h7-10H,5-6H2 ,1-4H3,(H,13,16)(H,14,15) /t8-,9-,10-/m0/s1; CCMDAWLYCNFDFN-GUBZILKMSA-N |
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N1)CC(C )C; CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C) NC1=O; CC[CH](C)[CH]1NC(=O)[CH](CC(C)C)N C1=O; CCC(C)C1C(=O)NC(C(=O)N1)CC(C)C |
(3~{S},6~{S})-3-[(2~{S})-butan-2-yl]-6-(2-methylpropyl)piperazine-2,5-dione |
| 17761 |  A1LVI CHEMBL4533578 |
1 | C21 H18 N4 O2 | InChI=1S/C21H18N4O2/c22-2 1-18(4-3-11-24-21)19-13-1 7(25-27-19)12-15-6-8-16(9 -7-15)14-26-20-5-1-2-10-2 3-20/h1-11,13H,12,14H2,(H 2,22,24); WSEKTEUGRLFBSE-UHFFFAOYSA-N |
c1ccnc(c1)OCc2ccc(cc2)Cc3cc(on3)c4cccnc4 N; Nc1ncccc1c2onc(Cc3ccc(COc4ccccn4)cc3) c2 |
3-[3-[[4-(pyridin-2-yloxymethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine |
| 17762 |  A1LVJ |
1 | C27 H24 F3 N7 O2 | InChI=1S/C27H24F3N7O2/c1- 15(19-4-3-5-20(23(19)28)2 5(29)30)33-26-21-14-37(36 -8-10-39-11-9-36)27(38)22 (24(21)34-16(2)35-26)17-6 -7-18(12-31)32-13-17/h3-7 ,13-15,25H,8-11H2,1-2H3,( H,33,34,35)/t15-/m1/s1; HRMKBFIINYRRDO-OAHLLOKOSA-N |
CC1=NC2=C(C(=O)N(C=C2C(=N1)NC(C)c3cccc(c 3F)C(F)F)N4CCOCC4)c5ccc(nc5)C#N; CC1=NC2 =C(C(=O)N(C=C2C(=N1)N[C@H](C)c3cccc(c3F) C(F)F)N4CCOCC4)c5ccc(nc5)C#N; C[C@@H](NC 1=NC(=NC2=C(C(=O)N(C=C12)N3CCOCC3)c4ccc( nc4)C#N)C)c5cccc(C(F)F)c5F; C[CH](NC1=NC (=NC2=C(C(=O)N(C=C12)N3CCOCC3)c4ccc(nc4) C#N)C)c5cccc(C(F)F)c5F |
5-[4-[[(1~{R})-1-[3-[bis(fluoranyl)methyl]-2-fluoranyl-phenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-7-oxidanylidene-pyrido[4,3-d]pyrimidin-8-yl]pyridine-2-carbonitrile |
| 17763 |  A1LVL |
8 | C19 H15 Cl N4 O | InChI=1S/C19H15ClN4O/c1-2 3-10-22-17-18(23)13-7-6-1 2(20)9-15(13)24(19(17)25) 14-3-2-8-21-16(14)11-4-5- 11/h2-3,6-11H,4-5H2,1H3; FELOKFNJXFDCKP-UHFFFAOYSA-N |
Cn1cnc2C(=O)N(c3cccnc3C4CC4)c5cc(Cl)ccc5 c12; Cn1cnc2c1-c3ccc(cc3N(C2=O)c4cccnc4C 5CC5)Cl |
7-chloranyl-5-(2-cyclopropylpyridin-3-yl)-1-methyl-imidazo[4,5-c]quinolin-4-one |
| 17764 |  A1LVO |
1 | C26 H23 F3 N2 O5 | InChI=1S/C26H23F3N2O5/c1- 14-17(24(35)23-19(32)4-3- 5-20(23)33)10-11-18-22(14 )25(36)31(13-21(34)30(18) 2)12-15-6-8-16(9-7-15)26( 27,28)29/h6-11,32H,3-5,12 -13H2,1-2H3; PJRNCTHLDJFKRG-UHFFFAOYSA-N |
CN1C(=O)CN(Cc2ccc(cc2)C(F)(F)F)C(=O)c3c( C)c(ccc13)C(=O)C4=C(O)CCCC4=O; Cc1c(ccc2 c1C(=O)N(CC(=O)N2C)Cc3ccc(cc3)C(F)(F)F)C (=O)C4=C(CCCC4=O)O |
1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-3~{H}-1,4-benzodiazepine-2,5-dione |
| 17765 |  A1LVP |
1 | C21 H22 N2 O5 | InChI=1S/C21H22N2O5/c1-4- 10-23-11-17(26)22(3)14-9- 8-13(12(2)18(14)21(23)28) 20(27)19-15(24)6-5-7-16(1 9)25/h4,8-9,24H,1,5-7,10- 11H2,2-3H3; NIWCIBOQMVCWFM-UHFFFAOYSA-N |
Cc1c(ccc2c1C(=O)N(CC(=O)N2C)CC=C)C(=O)C3 =C(CCCC3=O)O; CN1C(=O)CN(CC=C)C(=O)c2c(C )c(ccc12)C(=O)C3=C(O)CCCC3=O |
1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-4-prop-2-enyl-3~{H}-1,4-benzodiazepine-2,5-dione |
| 17766 |  A1LVQ CHEMBL5558986 |
3 | C34 H33 N7 O5 | InChI=1S/C34H33N7O5/c1-5- 30(42)36-24-13-11-22(12-1 4-24)15-16-40-32-23(21-41 (34(40)44)25-17-26(45-3)1 9-27(18-25)46-4)20-35-33( 39-32)38-29-10-8-7-9-28(2 9)37-31(43)6-2/h5-14,17-2 0H,1-2,15-16,21H2,3-4H3,( H,36,42)(H,37,43)(H,35,38 ,39); NOZQNRBLSPCZJQ-UHFFFAOYSA-N |
COc1cc(OC)cc(c1)N2Cc3cnc(Nc4ccccc4NC(=O) C=C)nc3N(CCc5ccc(NC(=O)C=C)cc5)C2=O; COc 1cc(cc(c1)OC)N2Cc3cnc(nc3N(C2=O)CCc4ccc( cc4)NC(=O)C=C)Nc5ccccc5NC(=O)C=C |
CXF007; ~{N}-[4-[2-[3-(3,5-dimethoxyphenyl)-2-oxidanylidene-7-[[2-(prop-2-enoylamino)phenyl]amino]-4~{H}-pyrimido[4,5-d]pyrimidin-1-yl]ethyl]phenyl]propanamide |
| 17767 |  A1LVR CHEMBL1689654 |
16 | C18 H8 Cl2 F4 N4 O | InChI=1S/C18H8Cl2F4N4O/c1 9-15-9(6-10(21)16(20)26-1 5)11-7-12(29)28-17(25-11) 13(8-4-2-1-3-5-8)14(27-28 )18(22,23)24/h1-7,25H; JEXACLGXUUYXDX-UHFFFAOYSA-N |
Fc1cc(c(Cl)nc1Cl)C2=CC(=O)n3nc(c(c3N2)c4 ccccc4)C(F)(F)F; c1ccc(cc1)c2c(nn3c2NC(= CC3=O)c4cc(c(nc4Cl)Cl)F)C(F)(F)F |
QO-58; 5-[2,6-bis(chloranyl)-5-fluoranyl-pyridin-3-yl]-3-phenyl-2-(trifluoromethyl)-4~{H}-pyrazolo[1,5-a]pyrimidin-7-one |
| 17768 |  A1LVT CHEMBL5505932 |
2 | C26 H25 F3 N6 O2 | InChI=1S/C26H25F3N6O2/c1- 34-8-7-15-10-22(37-2)21(9 -17(15)13-34)32-25-31-12- 18-20(30)11-23(36)35(24(1 8)33-25)14-16-5-3-4-6-19( 16)26(27,28)29/h3-6,9-12H ,7-8,13-14,30H2,1-2H3,(H, 31,32,33); LQUUWQNDKXYUCK-UHFFFAOYSA-N |
COc1cc2CCN(C)Cc2cc1Nc3ncc4C(=CC(=O)N(Cc5 ccccc5C(F)(F)F)c4n3)N; CN1CCc2cc(c(cc2C1 )Nc3ncc4c(n3)N(C(=O)C=C4N)Cc5ccccc5C(F)( F)F)OC |
5-amino-2-((6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino)-8-(2-(trifluoromethyl)benzyl)pyrido[2,3-d]pyrimidin-7(8H)-one |
| 17769 |  A1LVV |
0 | C48 H66 O22 | InChI=1S/C48H66O22/c1-18- 13-23-30(34(52)32-31(35(2 3)58-10)25(14-24(50)33(32 )51)65-26-16-44(7,55)39(2 0(3)62-26)64-22(5)49)36-2 9(18)37-41-47(60-12,68-36 )46(9,57)48(69-37,70-41)4 2(59-11)67-28-17-45(8,56) 40(21(4)63-28)66-27-15-43 (6,54)38(53)19(2)61-27/h1 3,19-21,24-28,37-42,50,52 -57H,14-17H2,1-12H3/t19-, 20-,21-,24-,25-,26-,27-,2 8-,37-,38+,39+,40+,41-,42 +,43+,44+,45+,46-,47+,48- /m0/s1; RGKSARUQAAZAFR-MNPLPZHASA-N |
CO[C@H](O[C@H]1C[C@@](C)(O)[C@H](O[C@H]2 C[C@@](C)(O)[C@H](O)[C@H](C)O2)[C@H](C)O 1)[C@]34O[C@@H]5[C@H](O3)[C@@](OC)(Oc6c5 c(C)cc7c(OC)c8[C@H](C[C@H](O)C(=O)c8c(O) c67)O[C@H]9C[C@@](C)(O)[C@H](OC(C)=O)[C@ H](C)O9)[C@]4(C)O; Cc1cc2c(c(c3c(c2OC)C( CC(C3=O)O)OC4CC(C(C(O4)C)OC(=O)C)(C)O)O) c5c1C6C7C(O5)(C(C(O6)(O7)C(OC)OC8CC(C(C( O8)C)OC9CC(C(C(O9)C)O)(C)O)(C)O)(C)O)OC; Cc1cc2c(c(c3c(c2OC)[C@H](C[C@@H](C3=O)O )O[C@H]4C[C@@]([C@@H]([C@@H](O4)C)OC(=O) C)(C)O)O)c5c1[C@H]6[C@H]7[C@@](O5)([C@]( [C@@](O6)(O7)[C@H](OC)O[C@H]8C[C@@]([C@@ H]([C@@H](O8)C)O[C@H]9C[C@@]([C@@H]([C@@ H](O9)C)O)(C)O)(C)O)(C)O)OC; CO[CH](O[CH ]1C[C](C)(O)[CH](O[CH]2C[C](C)(O)[CH](O) [CH](C)O2)[CH](C)O1)[C]34O[CH]5[CH](O3)[ C](OC)(Oc6c5c(C)cc7c(OC)c8[CH](C[CH](O)C (=O)c8c(O)c67)O[CH]9C[C](C)(O)[CH](OC(C) =O)[CH](C)O9)[C]4(C)O |
LL-D49194alpha1 |
| 17770 |  A1LVW CHEMBL4282488 |
1 | C23 H23 Cl2 N5 | InChI=1S/C23H23Cl2N5/c1-3 0(12-10-28-20-6-8-26-22-1 4-16(24)2-4-18(20)22)13-1 1-29-21-7-9-27-23-15-17(2 5)3-5-19(21)23/h2-9,14-15 H,10-13H2,1H3,(H,26,28)(H ,27,29); WDGQVCRQXSYPCW-UHFFFAOYSA-N |
CN(CCNc1ccnc2cc(Cl)ccc12)CCNc3ccnc4cc(Cl )ccc34; CN(CCNc1ccnc2c1ccc(c2)Cl)CCNc3cc nc4c3ccc(c4)Cl |
Lys01; ~{N}-(7-chloranylquinolin-4-yl)-~{N}'-[2-[(7-chloranylquinolin-4-yl)amino]ethyl]-~{N}'-methyl-ethane-1,2-diamine |
| 17771 |  A1LVX CHEMBL563789 |
4 | C23 H22 F7 I N2 O4 S | InChI=1S/C23H22F7IN2O4S/c 1-12-10-13(21(24,22(25,26 )27)23(28,29)30)8-9-16(12 )32-18(34)14-6-5-7-15(31) 17(14)19(35)33-20(2,3)11- 38(4,36)37/h5-10H,11H2,1- 4H3,(H,32,34)(H,33,35); ZGNITFSDLCMLGI-UHFFFAOYSA-N |
Cc1cc(ccc1NC(=O)c2cccc(c2C(=O)NC(C)(C)CS (=O)(=O)C)I)C(C(F)(F)F)(C(F)(F)F)F; Cc1c c(ccc1NC(=O)c2cccc(I)c2C(=O)NC(C)(C)C[S] (C)(=O)=O)C(F)(C(F)(F)F)C(F)(F)F |
Flubendiamide; N1-[4-[1,1,1,2,3,3,3-heptakis(fluoranyl)propan-2-yl]-2-methyl-phenyl]-3-iodanyl-N2-(2-methyl-1-methylsulfonyl-propan-2-yl)benzene-1,2-dicarboxamide |
| 17772 |  A1LVZ |
2 | C12 H16 F I N3 O12 P3 | InChI=1S/C12H16FIN3O12P3/ c1-5-8-6(14)2-17(11(8)16- 4-15-5)12-9(13)10(18)7(27 -12)3-26-31(22,23)29-32(2 4,25)28-30(19,20)21/h2,4, 7,9-10,12,18H,3H2,1H3,(H, 22,23)(H,24,25)(H2,19,20, 21)/t7-,9+,10-,12-/m1/s1; SDPCZQPAUGWGIT-DLYFRVTGSA-N |
Cc1c2c(cn(c2ncn1)[C@H]3[C@H]([C@@H]([C@H ](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)I ; Cc1ncnc2n(cc(I)c12)[CH]3O[CH](CO[P](O) (=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3 F; Cc1ncnc2n(cc(I)c12)[C@@H]3O[C@H](CO[P ](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O )[C@@H]3F; Cc1c2c(cn(c2ncn1)C3C(C(C(O3)C OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)I |
[[(2~{R},3~{R},4~{S},5~{R})-4-fluoranyl-5-(5-iodanyl-4-methyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
| 17773 |  A1LW0 |
19 | C7 H14 N4 O3 | InChI=1S/C7H14N4O3/c1-8-7 (10-11(12)13)9-4-6-2-3-14 -5-6/h6H,2-5H2,1H3,(H2,8, 9,10)/t6-/m0/s1; YKBZOVFACRVRJN-LURJTMIESA-N |
CN\C(NC[C@@H]1CCOC1)=N/[N+]([O-])=O; CNC (=N[N+](=O)[O-])NCC1CCOC1; CN/C(=N\[N+]( =O)[O-])/NC[C@@H]1CCOC1; CNC(NC[CH]1CCOC 1)=N[N+]([O-])=O |
2-methyl-1-nitro-3-[(tetrahydro-3-furanyl) methyl] guanidine; dinotefuran |
| 17774 |  A1LW1 CHEMBL2181467 |
2 | C40 H44 N4 O4 | InChI=1S/C40H44N4O4/c41-2 5-13-12-22-35(39(47)42-27 -34(29-14-4-1-5-15-29)30- 16-6-2-7-17-30)43-40(48)3 6-26-32-20-10-11-21-33(32 )28-44(36)38(46)24-23-37( 45)31-18-8-3-9-19-31/h1-1 1,14-21,34-36H,12-13,22-2 8,41H2,(H,42,47)(H,43,48) /t35-,36-/m0/s1; LEINOXRFIYQSFV-ZPGRZCPFSA-N |
NCCCC[CH](NC(=O)[CH]1Cc2ccccc2CN1C(=O)CC C(=O)c3ccccc3)C(=O)NCC(c4ccccc4)c5ccccc5 ; c1ccc(cc1)C(CNC(=O)C(CCCCN)NC(=O)C2Cc3 ccccc3CN2C(=O)CCC(=O)c4ccccc4)c5ccccc5; c1ccc(cc1)C(CNC(=O)[C@H](CCCCN)NC(=O)[C@ @H]2Cc3ccccc3CN2C(=O)CCC(=O)c4ccccc4)c5c cccc5; NCCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2 CN1C(=O)CCC(=O)c3ccccc3)C(=O)NCC(c4ccccc 4)c5ccccc5 |
(3~{S})-~{N}-[(2~{S})-6-azanyl-1-(2,2-diphenylethylamino)-1-oxidanylidene-hexan-2-yl]-2-(4-oxidanylidene-4-phenyl-butanoyl)-3,4-dihydro-1~{H}-isoquinoline-3-carboxamide |
| 17775 |  A1LW2 CHEMBL2221034 |
2 | C25 H31 I N | InChI=1S/C25H31IN/c1-25(2 )21-14-13-20(23(25)15-21) 17-27(3,4)16-18-9-11-19(1 2-10-18)22-7-5-6-8-24(22) 26/h5-13,21,23H,14-17H2,1 -4H3/q+1/t21-,23-/m0/s1; FKUOVGQOKVAIAV-GMAHTHKFSA-N |
CC1(C)[CH]2CC=C(C[N+](C)(C)Cc3ccc(cc3)c4 ccccc4I)[CH]1C2; CC1([C@H]2CC=C([C@@H]1C 2)C[N+](C)(C)Cc3ccc(cc3)c4ccccc4I)C; CC1 (C2CC=C(C1C2)C[N+](C)(C)Cc3ccc(cc3)c4ccc cc4I)C; CC1(C)[C@H]2CC=C(C[N+](C)(C)Cc3c cc(cc3)c4ccccc4I)[C@@H]1C2 |
[(1~{R},5~{S})-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl-[[4-(2-iodanylphenyl)phenyl]methyl]-dimethyl-azanium |
| 17776 |  A1LW3 |
2 | C14 H16 N4 O4 S | InChI=1S/C14H16N4O4S/c1-4 -18-12-7-9(5-6-11(12)17(3 )23(18,21)22)13(19)10-8-1 5-16(2)14(10)20/h5-8,20H, 4H2,1-3H3; RFXPRTZJOLHGIJ-UHFFFAOYSA-N |
CCN1c2cc(ccc2N(C)[S]1(=O)=O)C(=O)c3cnn(C )c3O; CCN1c2cc(ccc2N(S1(=O)=O)C)C(=O)c3c nn(c3O)C |
[3-ethyl-1-methyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone |
| 17777 |  A1LW4 |
1 | C14 H13 F4 N3 O3 S | InChI=1S/C14H13F4N3O3S/c1 -3-6-25(23)11-9(14(16,17) 18)5-4-8(10(11)15)12(22)1 9-13-21-20-7(2)24-13/h4-5 H,3,6H2,1-2H3,(H,19,21,22 ); PWQIRGHRDYHXJS-UHFFFAOYSA-N |
CCCS(=O)c1c(ccc(c1F)C(=O)Nc2nnc(o2)C)C(F )(F)F; CCC[S@@](=O)c1c(F)c(ccc1C(F)(F)F) C(=O)Nc2oc(C)nn2; CCC[S](=O)c1c(F)c(ccc1 C(F)(F)F)C(=O)Nc2oc(C)nn2 |
2-fluoranyl-~{N}-(5-methyl-1,3,4-oxadiazol-2-yl)-3-propylsulfinyl-4-(trifluoromethyl)benzamide |
| 17778 |  A1LW5 |
1 | C18 H17 Cl N2 O3 | InChI=1S/C18H17ClN2O3/c1- 2-21-8-12(19)13-11(5-6-20 -18(13)21)17(24)14-15(22) 9-3-4-10(7-9)16(14)23/h5- 6,8-10,22H,2-4,7H2,1H3/t9 -,10+/m1/s1; KMKACZIOFPMKQH-ZJUUUORDSA-N |
CCn1cc(c2c1nccc2C(=O)C3=C([C@@H]4CC[C@@H ](C4)C3=O)O)Cl; CCn1cc(Cl)c2c(ccnc12)C(= O)C3=C(O)[CH]4CC[CH](C4)C3=O; CCn1cc(c2c 1nccc2C(=O)C3=C(C4CCC(C4)C3=O)O)Cl; CCn1 cc(Cl)c2c(ccnc12)C(=O)C3=C(O)[C@@H]4CC[C @@H](C4)C3=O |
(1~{S},5~{R})-3-(3-chloranyl-1-ethyl-pyrrolo[2,3-b]pyridin-4-yl)carbonyl-4-oxidanyl-bicyclo[3.2.1]oct-3-en-2-one |
| 17779 |  A1LW6 |
1 | C22 H16 Cl N3 O7 | InChI=1S/C22H16ClN3O7/c1- 24-15-9-13(20(29)19-17(27 )3-2-4-18(19)28)16(26(32) 33)10-14(15)21(30)25(22(2 4)31)12-7-5-11(23)6-8-12/ h5-10,27H,2-4H2,1H3; ZORAUUJNIZHGRH-UHFFFAOYSA-N |
CN1C(=O)N(C(=O)c2cc(c(cc12)C(=O)C3=C(O)C CCC3=O)[N+]([O-])=O)c4ccc(Cl)cc4; CN1c2c c(c(cc2C(=O)N(C1=O)c3ccc(cc3)Cl)[N+](=O) [O-])C(=O)C4=C(CCCC4=O)O |
3-(4-chlorophenyl)-1-methyl-6-nitro-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione |
| 17780 |  A1LW7 |
1 | C18 H14 F3 N3 O7 | InChI=1S/C18H14F3N3O7/c1- 22-10-5-8(15(27)14-12(25) 3-2-4-13(14)26)11(24(30)3 1)6-9(10)16(28)23(17(22)2 9)7-18(19,20)21/h5-6,25H, 2-4,7H2,1H3; ZFGHZLLDLQYOBM-UHFFFAOYSA-N |
CN1c2cc(c(cc2C(=O)N(C1=O)CC(F)(F)F)[N+]( =O)[O-])C(=O)C3=C(CCCC3=O)O; CN1C(=O)N(C C(F)(F)F)C(=O)c2cc(c(cc12)C(=O)C3=C(O)CC CC3=O)[N+]([O-])=O |
1-methyl-6-nitro-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-[2,2,2-tris(fluoranyl)ethyl]quinazoline-2,4-dione |
| 17781 |  A1LW8 |
0 | C34 H56 O8 | InChI=1S/C34H56O8/c1-18(1 7-40-31-30(39)29(38)28(37 )26(16-35)42-31)6-7-24-19 (2)27-25(41-24)14-23-21-9 -11-32(3)15-20(36)8-13-34 (32,5)22(21)10-12-33(23,2 7)4/h18,20-23,25-31,35-39 H,6-17H2,1-5H3/t18-,20-,2 1-,22-,23+,25-,26+,27-,28 +,29-,30+,31+,32+,33-,34+ /m0/s1; ULNDCEKFZLEEGC-TWIDTKOTSA-N |
CC1=C(O[C@@H]2[C@H]1[C@]3(CC[C@H]4[C@@H] ([C@H]3C2)CC[C@]5([C@@]4(CC[C@@H](C5)O)C )C)C)CC[C@H](C)CO[C@H]6[C@@H]([C@H]([C@@ H]([C@H](O6)CO)O)O)O; CC1=C(OC2C1C3(CCC4 C(C3C2)CCC5(C4(CCC(C5)O)C)C)C)CCC(C)COC6 C(C(C(C(O6)CO)O)O)O; C[C@@H](CCC1=C(C)[C @H]2[C@H](C[C@@H]3[C@H]4CC[C@]5(C)C[C@@H ](O)CC[C@]5(C)[C@H]4CC[C@]23C)O1)CO[C@@H ]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O; C[ CH](CCC1=C(C)[CH]2[CH](C[CH]3[CH]4CC[C]5 (C)C[CH](O)CC[C]5(C)[CH]4CC[C]23C)O1)CO[ CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O |
(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(2~{S})-2-methyl-4-[(1~{R},2~{R},4~{S},6~{S},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S},18~{R})-7,9,13,18-tetramethyl-16-oxidanyl-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan-6-yl]butoxy]oxane-3,4,5-triol |
| 17782 |  A1LW9 |
2 | C25 H24 N6 O2 S | InChI=1S/C25H24N6O2S/c1-4 -20(32)29-17-7-5-15(6-8-1 7)12-31-25-21(24(26)27-13 -28-25)22(30-31)19-11-16- 9-14(2)10-18(33-3)23(16)3 4-19/h5-11,13H,4,12H2,1-3 H3,(H,29,32)(H2,26,27,28); ZOBPPKHZWZENPR-UHFFFAOYSA-N |
CCC(=O)Nc1ccc(Cn2nc(c3sc4c(OC)cc(C)cc4c3 )c5c(N)ncnc25)cc1; CCC(=O)Nc1ccc(cc1)Cn2 c3c(c(n2)c4cc5cc(cc(c5s4)OC)C)c(ncn3)N |
~{N}-[4-[[4-azanyl-3-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]propanamide |
| 17783 |  A1LWA |
1 | C21 H21 Cl2 N O4 | InChI=1S/C21H21Cl2NO4/c1- 3-24-12(2)16(19(26)21(24) 27)18(25)14-9-10-15(22)20 (17(14)23)28-11-13-7-5-4- 6-8-13/h4-10,12,16,19,26H ,3,11H2,1-2H3/t12-,16-,19 -/m1/s1; OFNHTQNNTWKNME-SMNXXWJPSA-N |
CCN1C(C(C(C1=O)O)C(=O)c2ccc(c(c2Cl)OCc3c cccc3)Cl)C; CCN1[C@H](C)[C@@H]([C@@H](O) C1=O)C(=O)c2ccc(Cl)c(OCc3ccccc3)c2Cl; CC N1[CH](C)[CH]([CH](O)C1=O)C(=O)c2ccc(Cl) c(OCc3ccccc3)c2Cl; CCN1[C@@H]([C@@H]([C@ H](C1=O)O)C(=O)c2ccc(c(c2Cl)OCc3ccccc3)C l)C |
(3~{R},4~{S},5~{R})-4-[2,4-bis(chloranyl)-3-phenylmethoxy-phenyl]carbonyl-1-ethyl-5-methyl-3-oxidanyl-pyrrolidin-2-one |
| 17784 |  A1LWB CHEMBL4535113 |
6 | C24 H32 O4 | InChI=1S/C24H32O4/c1-15(2 )8-6-9-16(3)10-7-11-17(4) 12-13-19-22(25)18(5)20-14 -28-24(27)21(20)23(19)26/ h8,10,12,25-26H,6-7,9,11, 13-14H2,1-5H3; HKULYCOWDDIJCV-UHFFFAOYSA-N |
CC(C)=CCCC(C)=CCCC(C)=CCc1c(O)c(C)c2COC( =O)c2c1O; Cc1c2c(c(c(c1O)CC=C(C)CCC=C(C) CCC=C(C)C)O)C(=O)OC2; CC(C)=CCC/C(C)=C/C C/C(C)=C/Cc1c(O)c(C)c2COC(=O)c2c1O; Cc1c 2c(c(c(c1O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C) C)O)C(=O)OC2 |
4-farnesyl-3,5-dihydroxy-6-methylphthalide; 4-methyl-5,7-bis(oxidanyl)-6-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]-3~{H}-2-benzofuran-1-one |
| 17785 |  A1LWC |
1 | C21 H26 O6 | InChI=1S/C21H26O6/c1-12(5 -4-6-13(2)8-10-17(22)23)7 -9-15-19(24)14(3)16-11-27 -21(26)18(16)20(15)25/h6- 7,24-25H,4-5,8-11H2,1-3H3 ,(H,22,23); LFMVGCLSSWANEO-UHFFFAOYSA-N |
Cc1c2c(c(c(c1O)CC=C(C)CCC=C(C)CCC(=O)O)O )C(=O)OC2; CC(CCC=C(C)CCC(O)=O)=CCc1c(O) c(C)c2COC(=O)c2c1O; C/C(CC\C=C(/C)CCC(O) =O)=C/Cc1c(O)c(C)c2COC(=O)c2c1O; Cc1c2c( c(c(c1O)C/C=C(\C)/CC/C=C(\C)/CCC(=O)O)O) C(=O)OC2 |
4-farnesyl-3,5-dihydroxy-6-methylphthalide-3C; (4~{E},8~{E})-4,8-dimethyl-10-[7-methyl-4,6-bis(oxidanyl)-3-oxidanylidene-1~{H}-2-benzofuran-5-yl]deca-4,8-dienoic acid |
| 17786 |  A1LWD CHEMBL132727 |
6 | C16 H18 O6 | InChI=1S/C16H18O6/c1-8(4- 6-12(17)18)3-5-10-14(19)9 (2)11-7-22-16(21)13(11)15 (10)20/h3,19-20H,4-7H2,1- 2H3,(H,17,18); MHSRNZSBNXFMLF-UHFFFAOYSA-N |
CC(CCC(O)=O)=CCc1c(O)c(C)c2COC(=O)c2c1O; CC(/CCC(O)=O)=C/Cc1c(O)c(C)c2COC(=O)c2c 1O; Cc1c2c(c(c(c1O)CC=C(C)CCC(=O)O)O)C(= O)OC2; Cc1c2c(c(c(c1O)C/C=C(\C)/CCC(=O)O )O)C(=O)OC2 |
O-desmethyl mycophenolic acid; (~{E})-4-methyl-6-[7-methyl-4,6-bis(oxidanyl)-3-oxidanylidene-1~{H}-2-benzofuran-5-yl]hex-4-enoic acid |
| 17787 |  A1LWE |
2 | C11 H18 N5 O14 P3 | InChI=1S/C11H18N5O14P3/c1 -26-7-6(17)4(2-27-32(22,2 3)30-33(24,25)29-31(19,20 )21)28-10(7)16-3-13-5-8(1 6)14-11(12)15-9(5)18/h3-4 ,6-7,10,17H,2H2,1H3,(H,22 ,23)(H,24,25)(H2,19,20,21 )(H3,12,14,15,18)/t4-,6-, 7-,10-/m1/s1; GMUJBFZJAFFHIW-KQYNXXCUSA-N |
CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C (NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O ; COC1C(C(OC1n2cnc3c2N=C(NC3=O)N)COP(=O) (O)OP(=O)(O)OP(=O)(O)O)O; CO[CH]1[CH](O) [CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O )O[CH]1n2cnc3C(=O)NC(=Nc23)N; CO[C@@H]1[ C@H](O)[C@@H](CO[P](O)(=O)O[P](O)(=O)O[P ](O)(O)=O)O[C@H]1n2cnc3C(=O)NC(=Nc23)N |
[[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
| 17788 |  A1LWG |
6 | C13 H16 N2 O2 | InChI=1S/C13H16N2O2/c1-9( 13(16)17)14-7-6-10-8-15-1 2-5-3-2-4-11(10)12/h2-5,8 -9,14-15H,6-7H2,1H3,(H,16 ,17); BGXZBALMOFWVRC-UHFFFAOYSA-N |
C[CH](NCCc1c[nH]c2ccccc12)C(O)=O; C[C@H] (C(=O)O)NCCc1c[nH]c2c1cccc2; CC(C(=O)O)N CCc1c[nH]c2c1cccc2; C[C@@H](NCCc1c[nH]c2 ccccc12)C(O)=O |
(2~{R})-2-[2-(1~{H}-indol-3-yl)ethylamino]propanoic acid |
| 17789 |  A1LWH CHEMBL259571 DB06083 |
1 | C17 H18 O2 | InChI=1S/C17H18O2/c1-12(2 )17-15(18)10-14(11-16(17) 19)9-8-13-6-4-3-5-7-13/h3 -12,18-19H,1-2H3/b9-8+; ZISJNXNHJRQYJO-CMDGGOBGSA-N |
CC(C)c1c(cc(cc1O)/C=C/c2ccccc2)O; CC(C)c 1c(O)cc(/C=C/c2ccccc2)cc1O; CC(C)c1c(cc( cc1O)C=Cc2ccccc2)O; CC(C)c1c(O)cc(C=Cc2c cccc2)cc1O |
Tapinarof; 5-[(E)-2-phenylethenyl]-2-propan-2-yl-benzene-1,3-diol; DB06083 |
| 17790 |  A1LWI CHEMBL472031 |
1 | C19 H12 N2 O | InChI=1S/C19H12N2O/c22-10 -14-18-12-6-2-4-8-16(12)2 0-17(18)9-13-11-5-1-3-7-1 5(11)21-19(13)14/h1-10,20 -21H; ZUDXFBWDXVNRKF-UHFFFAOYSA-N |
c1ccc2c(c1)c3cc4c(c5ccccc5[nH]4)c(c3[nH] 2)C=O; O=Cc1c2[nH]c3ccccc3c2cc4[nH]c5ccc cc5c14 |
5,11-dihydroindolo[3,2-b]carbazole-12-carbaldehyde |
| 17791 |  A1LWJ |
1 | C19 H14 O2 | InChI=1S/C19H14O2/c20-16- 12-18(14-7-2-1-3-8-14)21- 17-11-10-13-6-4-5-9-15(13 )19(16)17/h1-11,18H,12H2/ t18-/m1/s1; XTWSWGKXWMYSLP-GOSISDBHSA-N |
O=C1C[CH](Oc2ccc3ccccc3c12)c4ccccc4; O=C 1C[C@@H](Oc2ccc3ccccc3c12)c4ccccc4; c1cc c(cc1)[C@H]2CC(=O)c3c4ccccc4ccc3O2; c1cc c(cc1)C2CC(=O)c3c4ccccc4ccc3O2 |
(3R)-3-phenyl-2,3-dihydrobenzo[f]chromen-1-one |
| 17792 |  A1LWK CHEMBL35479 |
1 | C16 H10 N2 O2 | InChI=1S/C16H10N2O2/c19-1 5-9-5-1-3-7-11(9)17-13(15 )14-16(20)10-6-2-4-8-12(1 0)18-14/h1-8,17,19H; QQILFGKZUJYXGS-UHFFFAOYSA-N |
Oc1c([nH]c2ccccc12)C3=Nc4ccccc4C3=O; c1c cc2c(c1)c(c([nH]2)C3=Nc4ccccc4C3=O)O |
2-(3-oxidanyl-1H-indol-2-yl)indol-3-one |
| 17793 |  A1LWL CHEMBL277861 |
2 | C17 H25 N O | InChI=1S/C17H25NO/c19-17- 9-5-4-8-16(17)18-12-10-15 (11-13-18)14-6-2-1-3-7-14 /h1-3,6-7,15-17,19H,4-5,8 -13H2/t16-,17-/m0/s1; YSSBJODGIYRAMI-IRXDYDNUSA-N |
O[CH]1CCCC[CH]1N2CCC(CC2)c3ccccc3; O[C@H ]1CCCC[C@@H]1N2CCC(CC2)c3ccccc3; c1ccc(c c1)C2CCN(CC2)C3CCCCC3O; c1ccc(cc1)C2CCN( CC2)[C@H]3CCCC[C@@H]3O |
vesamicol; (1~{S},2~{S})-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol; 2-(4-Phenylpiperidino)cyclohexanol |
| 17794 |  A1LWM |
3 | C29 H43 N O4 | InChI=1S/C29H43NO4/c1-7-2 2(8-2)15-14-16-23(9-3)19- 20(5)26(31)25(10-4)28(32) 30-21(6)27(34-29(30)33)24 -17-12-11-13-18-24/h7,11- 13,16-18,20-21,25-27,31H, 8-10,14-15,19H2,1-6H3/b22 -7+,23-16+/t20-,21?,25?,2 6?,27?/m0/s1; GIEHXLSOYWFSMM-FYYHNBHTSA-N |
CCC(C(C(C)CC(=CCCC(=CC)CC)CC)O)C(=O)N1C( C(OC1=O)c2ccccc2)C; CCC(C(O)[CH](C)CC(CC )=CCCC(CC)=CC)C(=O)N1C(C)C(OC1=O)c2ccccc 2; CCC(C(O)[C@@H](C)C\C(CC)=C\CC/C(CC)=C /C)C(=O)N1C(C)C(OC1=O)c2ccccc2; CC[C@H]( [C@H]([C@@H](C)C/C(=C/CC/C(=C/C)/CC)/CC) O)C(=O)N1C(C(OC1=O)c2ccccc2)C |
(4R,5S)-4-methyl-5-phenyl-3-((2R,3S,4S,6E,10E)-2,6,10-triethyl-3-hydroxy-4-methyldodeca-6,10-dienoyl)oxazolidin-2-one |
| 17795 |  A1LWO |
2 | C32 H27 F3 N6 O2 | InChI=1S/C32H27F3N6O2/c1- 20-12-21(10-11-37-20)28-1 4-29(32(33,34)35)39-41(28 )23-6-8-24(9-7-23)43-15-2 2-13-26(25-4-2-3-5-27(25) 38-22)30(42)40-18-31(19-4 0)16-36-17-31/h2-14,36H,1 5-19H2,1H3; IFBZQSRPXWNBLJ-UHFFFAOYSA-N |
Cc1cc(ccn1)c2cc(nn2c3ccc(cc3)OCc4cc(c5cc ccc5n4)C(=O)N6CC7(C6)CNC7)C(F)(F)F; Cc1c c(ccn1)c2cc(nn2c3ccc(OCc4cc(C(=O)N5CC6(C NC6)C5)c7ccccc7n4)cc3)C(F)(F)F |
2,6-diazaspiro[3.3]heptan-2-yl-[2-[[4-[5-(2-methylpyridin-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenoxy]methyl]quinolin-4-yl]methanone |
| 17796 |  A1LWP |
1 | C20 H21 N O4 S | InChI=1S/C20H21NO4S/c1-12 (2)8-9-21-14-10-13(6-7-17 (14)26-11-18(21)24)20(25) 19-15(22)4-3-5-16(19)23/h 6-8,10,22H,3-5,9,11H2,1-2 H3; HUDLPHGXXZAIFM-UHFFFAOYSA-N |
CC(=CCN1c2cc(ccc2SCC1=O)C(=O)C3=C(CCCC3= O)O)C; CC(C)=CCN1C(=O)CSc2ccc(cc12)C(=O) C3=C(O)CCCC3=O |
4-(3-methylbut-2-enyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-1,4-benzothiazin-3-one |
| 17797 |  A1LWQ |
1 | C9 H9 N O3 | InChI=1S/C9H9NO3/c10-7-3- 1-6(2-4-7)5-8(11)9(12)13/ h1-4H,5,10H2,(H,12,13); HWDZIRSKXFAMFU-UHFFFAOYSA-N |
c1cc(ccc1CC(=O)C(=O)O)N; Nc1ccc(CC(=O)C( O)=O)cc1 |
3-(4-aminophenyl)-2-oxidanylidene-propanoic acid |
| 17798 |  A1LWR |
1 | C23 H21 N3 O6 | InChI=1S/C23H21N3O6/c1-13 -15(22(29)20-18(27)8-5-9- 19(20)28)10-11-17-21(13)2 5(23(30)24(17)2)12-14-6-3 -4-7-16(14)26(31)32/h3-4, 6-7,10-11,27H,5,8-9,12H2, 1-2H3; DRLROISZNNCBFZ-UHFFFAOYSA-N |
CN1C(=O)N(Cc2ccccc2[N+]([O-])=O)c3c(C)c( ccc13)C(=O)C4=C(O)CCCC4=O; Cc1c(ccc2c1N( C(=O)N2C)Cc3ccccc3[N+](=O)[O-])C(=O)C4=C (CCCC4=O)O |
1,4-dimethyl-3-[(2-nitrophenyl)methyl]-5-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-benzimidazol-2-one |
| 17799 |  A1LWS CHEMBL5597957 |
1 | C26 H32 N8 O2 | InChI=1S/C26H32N8O2/c1-15 -13-34(14-16(2)36-15)18-7 -5-6-17(10-18)30-25-23-20 (12-29-33-26(23)35)19(11- 27)24(32-25)31-22-9-4-3-8 -21(22)28/h5-7,10,12,15-1 6,21-22H,3-4,8-9,13-14,28 H2,1-2H3,(H,33,35)(H2,30, 31,32)/t15-,16+,21-,22+/m 0/s1; KGWLGIOZFOBIIA-VYXDICFBSA-N |
C[CH]1CN(C[CH](C)O1)c2cccc(Nc3nc(N[CH]4C CCC[CH]4N)c(C#N)c5C=NNC(=O)c35)c2; CC1CN (CC(O1)C)c2cccc(c2)Nc3c4c(c(c(n3)NC5CCCC C5N)C#N)C=NNC4=O; C[C@@H]1CN(C[C@@H](O1) C)c2cccc(c2)Nc3c4c(c(c(n3)N[C@@H]5CCCC[C @@H]5N)C#N)C=NNC4=O; C[C@@H]1CN(C[C@H](C )O1)c2cccc(Nc3nc(N[C@@H]4CCCC[C@@H]4N)c( C#N)c5C=NNC(=O)c35)c2 |
7-[[(1R,2S)-2-azanylcyclohexyl]amino]-5-[[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]amino]-4-oxidanylidene-3H-pyrido[3,4-d]pyridazine-8-carbonitrile |
| 17800 |  A1LWU |
2 | C26 H23 N3 O5 | InChI=1S/C26H23N3O5/c1-15 -18(25(33)24-20(30)4-3-5- 21(24)31)10-11-19-23(15)2 6(34)29(14-22(32)28(19)2) 13-17-8-6-16(12-27)7-9-17 /h6-11,30H,3-5,13-14H2,1- 2H3; UFOLPYYCKLLBGZ-UHFFFAOYSA-N |
CN1C(=O)CN(Cc2ccc(cc2)C#N)C(=O)c3c(C)c(c cc13)C(=O)C4=C(O)CCCC4=O; Cc1c(ccc2c1C(= O)N(CC(=O)N2C)Cc3ccc(cc3)C#N)C(=O)C4=C(C CCC4=O)O |
4-[[1,6-dimethyl-2,5-bis(oxidanylidene)-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3~{H}-1,4-benzodiazepin-4-yl]methyl]benzenecarbonitrile |