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| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 9601 |  7S9 ZINC000261090484 |
1 | C17 H24 N4 | InChI=1S/C17H24N4/c1-13-8 -16(20-17(18)9-13)5-4-14- 10-15(12-19-11-14)6-7-21( 2)3/h8-12H,4-7H2,1-3H3,(H 2,18,20); DKMOHXHCZRXLEY-UHFFFAOYSA-N |
CN(C)CCc1cncc(CCc2cc(C)cc(N)n2)c1; Cc1cc (nc(c1)N)CCc2cc(cnc2)CCN(C)C |
6-[2-[5-[2-(dimethylamino)ethyl]pyridin-3-yl]ethyl]-4-methyl-pyridin-2-amine |
| 9602 |  7SA |
2 | C44 H74 N2 O30 | InChI=1S/C44H74N2O30/c1-1 0-19(45-14-3-12(5-47)21(5 2)26(57)22(14)53)24(55)32 (63)41(68-10)74-38-17(8-5 0)71-43(34(65)29(38)60)73 -36-13(6-48)4-15(23(54)27 (36)58)46-20-11(2)69-42(3 3(64)25(20)56)75-39-18(9- 51)72-44(35(66)30(39)61)7 6-37-16(7-49)70-40(67)31( 62)28(37)59/h3-4,10-11,14 -67H,5-9H2,1-2H3/t10-,11- ,14+,15+,16-,17-,18-,19-, 20-,21-,22+,23+,24+,25+,2 6+,27-,28-,29-,30-,31-,32 -,33-,34-,35-,36-,37-,38- ,39-,40-,41-,42-,43-,44-/ m1/s1; DPMZCIRBUMLZIZ-BKAOIQCJSA-N |
CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(C(C(C =C3CO)NC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC 6C(OC(C(C6O)O)O)CO)CO)C)O)O)CO)O)O)NC7C= C(C(C(C7O)O)O)CO; C[CH]1O[CH](O[CH]2[CH] (O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH ](O)[CH](N[CH]4[CH](C)O[CH](O[CH]5[CH](O )[CH](O)[CH](O[CH]5CO)O[CH]6[CH](O)[CH]( O)[CH](O)O[CH]6CO)[CH](O)[CH]4O)C=C3CO)[ CH](O)[CH](O)[CH]1N[CH]7C=C(CO)[CH](O)[C H](O)[CH]7O; C[C@@H]1[C@H]([C@@H]([C@H]( [C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C @H]2O)O)O[C@H]3[C@@H]([C@H]([C@H](C=C3CO )N[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O) O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O [C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)O)O)C O)CO)C)O)O)CO)O)O)N[C@H]7C=C([C@H]([C@@H ]([C@H]7O)O)O)CO; C[C@H]1O[C@H](O[C@H]2[ C@H](O)[C@@H](O)[C@H](O[C@@H]2CO)O[C@H]3 [C@H](O)[C@@H](O)[C@@H](N[C@@H]4[C@@H](C )O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[ C@@H]5CO)O[C@H]6[C@H](O)[C@@H](O)[C@H](O )O[C@@H]6CO)[C@H](O)[C@H]4O)C=C3CO)[C@H] (O)[C@@H](O)[C@@H]1N[C@H]7C=C(CO)[C@@H]( O)[C@H](O)[C@H]7O |
ACARBOSE DERIVED HEPTASACCHARIDE; (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-5-[[(1S,4R,5R,6S)-3-(hydroxymethyl)-4-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-5-[[(1S,4R,5S,6S)-3-(hydroxymethyl)-4,5,6-tris(oxidanyl)cyclohex-2-en-1-yl]amino]-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-5,6-bis(oxidanyl)cyclohex-2-en-1-yl]amino]-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-oxane-2,3,4-triol |
| 9603 |  7SB ZINC000013844096 |
9 | C13 H11 Cl N4 O | InChI=1S/C13H11ClN4O/c14- 10-5-3-9(4-6-10)8-15-13-1 6-12(17-18-13)11-2-1-7-19 -11/h1-7H,8H2,(H2,15,16,1 7,18); IRHUOSKJHRHZKH-UHFFFAOYSA-N |
Clc1ccc(cc1)CNc2nnc(n2)c3occc3; Clc1ccc( CNc2n[nH]c(n2)c3occc3)cc1; c1cc(oc1)c2[n H]nc(n2)NCc3ccc(cc3)Cl |
N-(4-chlorobenzyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine |
| 9604 |  7SC |
1 | C21 H19 Cl N6 O2 | InChI=1S/C21H19ClN6O2/c22 -16-12-23-9-7-17(16)25-18 (29)13-28-11-8-15-19(28)2 6-21(27-20(15)30)24-10-6- 14-4-2-1-3-5-14/h1-5,7-9, 11-12H,6,10,13H2,(H,23,25 ,29)(H2,24,26,27,30); PYOLWRAPHCCKEJ-UHFFFAOYSA-N |
c1ccc(cc1)CCNC2=Nc3c(ccn3CC(=O)Nc4ccncc4 Cl)C(=O)N2; Clc1cnccc1NC(=O)Cn1ccc2C(=O) NC(=Nc21)NCCc1ccccc1; Clc1cnccc1NC(=O)Cn 2ccc3C(=O)NC(=Nc23)NCCc4ccccc4 |
N-(3-chloropyridin-4-yl)-2-{4-oxo-2-[(2-phenylethyl)amino]-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide |
| 9605 |  7SD CHEMBL3907471 |
2 | C23 H25 N7 O | InChI=1S/C23H25N7O/c1-16- 10-22(24)28-17(2)21(16)12 -25-23(31)20-11-27-30(15- 20)14-19-6-4-18(5-7-19)13 -29-9-3-8-26-29/h3-11,15H ,12-14H2,1-2H3,(H2,24,28) (H,25,31); OINOKQVNBGAIMA-UHFFFAOYSA-N |
Cc1cc(N)nc(C)c1CNC(=O)c2cnn(Cc3ccc(Cn4cc cn4)cc3)c2; Cc1c(c(C)nc(c1)N)CNC(c4cnn(C c3ccc(Cn2nccc2)cc3)c4)=O; Cc1cc(nc(c1CNC (=O)c2cnn(c2)Cc3ccc(cc3)Cn4cccn4)C)N |
N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide |
| 9606 |  7SE |
2 | C11 H10 N4 O2 | InChI=1S/C11H10N4O2/c16-1 0-6-5-9(11(17)12-10)15-13 -7-3-1-2-4-8(7)14-15/h1-4 ,9H,5-6H2,(H,12,16,17)/t9 -/m0/s1; QFGWCBAWFMYBCK-VIFPVBQESA-N |
O=C1CC[CH](n2nc3ccccc3n2)C(=O)N1; c1ccc2 c(c1)nn(n2)[C@H]3CCC(=O)NC3=O; c1ccc2c(c 1)nn(n2)C3CCC(=O)NC3=O; O=C1CC[C@H](n2nc 3ccccc3n2)C(=O)N1 |
(3S)-3-(benzotriazol-2-yl)piperidine-2,6-dione |
| 9607 |  7SF |
0 | C7 H4 Cl F3 O3 S | InChI=1S/C7H4ClF3O3S/c8-6 -2-1-4(15(12,13)14)3-5(6) 7(9,10)11/h1-3H,(H,12,13, 14); SUQWINLDJOTVAP-UHFFFAOYSA-N |
c1cc(c(cc1S(=O)(=O)O)C(F)(F)F)Cl; O[S](= O)(=O)c1ccc(Cl)c(c1)C(F)(F)F |
4-chloranyl-3-(trifluoromethyl)benzenesulfonic acid |
| 9608 |  7SG ZINC000584905450 |
8 | C24 H35 N4 O19 P3 | InChI=1S/C24H35N4O19P3/c1 -10-7-28(24(34)27-22(10)3 3)17-4-15(29)16(45-17)9-4 3-49(38,39)47-50(40,41)46 -23-21(32)18(20(31)12(3)4 4-23)26-6-14-13(8-42-48(3 5,36)37)5-25-11(2)19(14)3 0/h5-7,12,15-18,20-21,23, 29-32H,4,8-9H2,1-3H3,(H,3 8,39)(H,40,41)(H,27,33,34 )(H2,35,36,37)/b26-6+/t12 -,15+,16-,17-,18+,20+,21- ,23-/m1/s1; UJDWKFAFGYHSFM-QBLVGKJYSA-N |
Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2C(C(OC(C2O )OP(=O)(O)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(= O)NC4=O)C)O)C)O)O; C[CH]1O[CH](O[P](O)(= O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C( C)C(=O)NC3=O)[CH](O)[CH](N=Cc4c(O)c(C)nc c4CO[P](O)(O)=O)[CH]1O; O=P(O)(OCc1c(c(O )c(C)nc1)\C=N\C4C(O)C(OC(OP(OP(OCC3OC(N2 C(NC(=O)C(=C2)C)=O)CC3O)(O)=O)(O)=O)C4O) C)O; Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H] 2[C@H]([C@H](O[C@@H]([C@@H]2O)OP(=O)(O)O P(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C( C(=O)NC4=O)C)O)C)O)O; C[C@H]1O[C@H](O[P] (O)(=O)O[P](O)(=O)OC[C@H]2O[C@H](C[C@@H] 2O)N3C=C(C)C(=O)NC3=O)[C@H](O)[C@@H](N=C c4c(O)c(C)ncc4CO[P](O)(O)=O)[C@H]1O |
(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
| 9609 |  7SH |
1 | C27 H19 Cl N8 O3 | InChI=1S/C27H19ClN8O3/c1- 34-13-17(11-32-34)3-2-8-3 5-16-31-26-25(27(35)39)20 (18-4-5-23(37)19(9-18)10- 29)14-36(26)15-24(38)33-2 2-6-7-30-12-21(22)28/h4-7 ,9,11-14,16,37H,8,15H2,1H 3,(H,30,33,38); BLTGTNLANXRGML-UHFFFAOYSA-N |
Cn1cc(cn1)C#CCN2C=Nc3n(CC(=O)Nc4ccncc4Cl )cc(c5ccc(O)c(c5)C#N)c3C2=O; Cn1cc(cn1)C #CCN2C=Nc3c(c(cn3CC(=O)Nc4ccncc4Cl)c5ccc (c(c5)C#N)O)C2=O; Cn1cc(C#CCN2C=Nc3n(CC( =O)Nc4ccncc4Cl)cc(c4ccc(O)c(C#N)c4)c3C2= O)cn1 |
N-(3-chloropyridin-4-yl)-2-{5-(3-cyano-4-hydroxyphenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide |
| 9610 |  7SI ZINC000012405214 |
1 | C11 H12 O2 | InChI=1S/C11H12O2/c12-8-3 -4-9(13)11-7-2-1-6(5-7)10 (8)11/h3-4,6-7,12-13H,1-2 ,5H2/t6-,7+; JYHNNCBQCSLFQM-KNVOCYPGSA-N |
c1cc(c2c(c1O)[C@@H]3CC[C@H]2C3)O; c1cc(c 2c(c1O)C3CCC2C3)O; Oc1ccc(O)c2[C@H]3CC[C @H](C3)c12; C1CC2CC1c3c(O)ccc(O)c23; Oc1 ccc(O)c2[CH]3CC[CH](C3)c12 |
(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalene-5,8-diol |
| 9611 |  7SJ CHEMBL4059825 ZINC000146089536 |
2 | C19 H20 N4 O3 | InChI=1S/C19H20N4O3/c1-13 (2)23-16(6-8-22-23)19-14( 5-4-7-20-19)12-26-17-10-2 1-18(25-3)9-15(17)11-24/h 4-11,13H,12H2,1-3H3; GAEJJNBICDATLS-UHFFFAOYSA-N |
CC(C)n1c(ccn1)c2c(cccn2)COc3cnc(cc3C=O)O C; COc1cc(C=O)c(OCc2cccnc2c3ccnn3C(C)C)c n1; COc3cc(C=O)c(OCc1cccnc1c2ccnn2C(C)C) cn3 |
2-methoxy-5-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde |
| 9612 |  7SK ZINC000584905394 |
2 | C24 H27 N O4 | InChI=1S/C24H27NO4/c1-24( 2,3)29-22(23(26)27)21-20( 17-9-5-6-10-18(17)25(21)4 )16-11-12-19-15(14-16)8-7 -13-28-19/h5-6,9-12,14,22 H,7-8,13H2,1-4H3,(H,26,27 )/t22-/m0/s1; JEETZBQOULTRJG-QFIPXVFZSA-N |
CC(C)(C)O[C@@H](c1c(c2ccccc2n1C)c3ccc4c( c3)CCCO4)C(=O)O; CC(C)(C)OC(c1c(c2ccccc2 n1C)c3ccc4c(c3)CCCO4)C(=O)O; Cn1c2ccccc2 c(c3ccc4OCCCc4c3)c1[CH](OC(C)(C)C)C(O)=O ; Cn1c2ccccc2c(c3ccc4OCCCc4c3)c1[C@H](OC (C)(C)C)C(O)=O; C(=O)(O)C(c4c(c2ccc1OCCC c1c2)c3ccccc3n4C)OC(C)(C)C |
(2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid |
| 9613 |  7SL ZINC000032779900 |
2 | C9 H9 N3 O2 | InChI=1S/C9H9N3O2/c1-10-9 (13)7-5-6(11-12-7)8-3-2-4 -14-8/h2-5H,1H3,(H,10,13) (H,11,12); SBQQLWWZMIGHJH-UHFFFAOYSA-N |
CNC(=O)c1cc([nH]n1)c2ccco2; CNC(=O)c1cc( [nH]n1)c2occc2 |
5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide; 5-(Furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide |
| 9614 |  7SM |
2 | C30 H33 N O5 | InChI=1S/C30H33NO5/c1-35- 27-10-7-9-24(20-27)22-13- 15-23(16-14-22)30(34)31(2 6-17-18-26)21-25-8-4-5-11 -28(25)36-19-6-2-3-12-29( 32)33/h4-5,7-11,13-16,20, 26H,2-3,6,12,17-19,21H2,1 H3,(H,32,33); LOAQBTNAQOXHNZ-UHFFFAOYSA-N |
c4c(CN(C1CC1)C(c3ccc(c2cccc(c2)OC)cc3)=O )c(OCCCCCC(=O)O)ccc4; COc1cccc(c1)c2ccc( cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4; COc1cccc(c1)c2ccc(cc2)C(=O)N(Cc3ccccc3OC CCCCC(O)=O)C4CC4 |
6-(2-{[cyclopropyl(3'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid |
| 9615 |  7SN |
0 | C12 H17 N6 O8 P | InChI=1S/C12H17N6O8P/c13- 8(14)3-1-18(9-5(3)10(21)1 7-12(15)16-9)11-7(20)6(19 )4(26-11)2-25-27(22,23)24 /h1,4,6-7,11,19-20H,2H2,( H3,13,14)(H2,22,23,24)(H3 ,15,16,17,21)/t4-,6-,7-,1 1-/m1/s1; ALFWBBQGYCDFHE-RPKMEZRRSA-N |
[H]/N=C(\c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C @@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)/N; NC(=N)c1cn([CH]2O[CH](CO[P](O)(O)=O)[CH ](O)[CH]2O)c3N=C(N)NC(=O)c13; c1c(c2c(n1 C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)C (=N)N; NC(=N)c1cn([C@@H]2O[C@H](CO[P](O) (O)=O)[C@@H](O)[C@H]2O)c3N=C(N)NC(=O)c13 |
[(2R,3S,4R,5R)-5-(2-azanyl-5-carbamimidoyl-4-oxidanylidene-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate; archaeosine-5'-monophosphate |
| 9616 |  7SO |
1 | C27 H19 Cl N8 O2 | InChI=1S/C27H19ClN8O2/c1- 34-14-19(12-32-34)5-3-9-3 5-17-31-26-25(27(35)38)21 (20-6-2-4-18(10-20)11-29) 15-36(26)16-24(37)33-23-7 -8-30-13-22(23)28/h2,4,6- 8,10,12-15,17H,9,16H2,1H3 ,(H,30,33,37); LGXHFVDKQXJKGL-UHFFFAOYSA-N |
Cn1cc(C#CCN2C=Nc3n(CC(=O)Nc4ccncc4Cl)cc( c4cccc(C#N)c4)c3C2=O)cn1; Cn1cc(cn1)C#CC N2C=Nc3c(c(cn3CC(=O)Nc4ccncc4Cl)c5cccc(c 5)C#N)C2=O; Cn1cc(cn1)C#CCN2C=Nc3n(CC(=O )Nc4ccncc4Cl)cc(c5cccc(c5)C#N)c3C2=O |
N-(3-chloropyridin-4-yl)-2-{5-(3-cyanophenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide |
| 9617 |  7SP ZINC000095920829 |
2 | C19 H17 N3 O2 | InChI=1S/C19H17N3O2/c20-1 8(13-6-2-1-3-7-13)19(24)2 2-21-12-14-10-11-17(23)16 -9-5-4-8-15(14)16/h1-12,1 8,23H,20H2,(H,22,24)/b21- 12+/t18-/m1/s1; WWYPXPWOVWOANL-AGKWGAAGSA-N |
N[CH](C(=O)NN=Cc1ccc(O)c2ccccc12)c3ccccc 3; c1ccc(cc1)[C@H](C(=O)N/N=C/c2ccc(c3c2 cccc3)O)N; c1ccc(cc1)C(C(=O)NN=Cc2ccc(c3 c2cccc3)O)N; N[C@@H](C(=O)N\N=C\c1ccc(O) c2ccccc12)c3ccccc3; O=C(N\N=C\c2c1ccccc1 c(O)cc2)C(c3ccccc3)N |
(2R)-2-amino-N'-[(E)-(4-hydroxynaphthalen-1-yl)methylidene]-2-phenylethanehydrazide |
| 9618 |  7SQ CHEMBL5821672 |
1 | C9 H5 Cl F3 N3 | InChI=1S/C9H5ClF3N3/c10-8 -2-1-6(16-4-3-14-15-16)5- 7(8)9(11,12)13/h1-5H; SYIRPQOOLRXDHA-UHFFFAOYSA-N |
FC(F)(F)c1cc(ccc1Cl)n2ccnn2; c1cc(c(cc1n 2ccnn2)C(F)(F)F)Cl |
1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazole |
| 9619 |  7SR CHEMBL5639512 |
28 | C30 H33 Br N4 O3 | InChI=1S/C30H33BrN4O3/c1- 3-20(2)28-29(37)33(18-23- 9-6-8-22-7-4-5-10-25(22)2 3)19-26-34(16-15-27(36)35 (26)28)30(38)32-17-21-11- 13-24(31)14-12-21/h4-14,2 0,26,28H,3,15-19H2,1-2H3, (H,32,38)/t20-,26+,28-/m0 /s1; XXPDBCOMEKQMAR-GFNGZDJJSA-N |
CCC(C)C1C(=O)N(CC2N1C(=O)CCN2C(=O)NCc3cc c(cc3)Br)Cc4cccc5c4cccc5; CC[C@H](C)[C@H ]1C(=O)N(C[C@H]2N1C(=O)CCN2C(=O)NCc3ccc( cc3)Br)Cc4cccc5c4cccc5; CC[CH](C)[CH]1N2 [CH](CN(Cc3cccc4ccccc34)C1=O)N(CCC2=O)C( =O)NCc5ccc(Br)cc5; CC[C@H](C)[C@@H]1N2[C @H](CN(Cc3cccc4ccccc34)C1=O)N(CCC2=O)C(= O)NCc5ccc(Br)cc5 |
(6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide |
| 9620 |  7SS |
2 | C30 H33 N O5 | InChI=1S/C30H33NO5/c1-35- 27-18-14-23(15-19-27)22-1 0-12-24(13-11-22)30(34)31 (26-16-17-26)21-25-7-4-5- 8-28(25)36-20-6-2-3-9-29( 32)33/h4-5,7-8,10-15,18-1 9,26H,2-3,6,9,16-17,20-21 H2,1H3,(H,32,33); KGVIWPXNLFKQLW-UHFFFAOYSA-N |
COc1ccc(cc1)c2ccc(cc2)C(=O)N(Cc3ccccc3OC CCCCC(=O)O)C4CC4; COc1ccc(cc1)c2ccc(cc2) C(=O)N(Cc3ccccc3OCCCCCC(O)=O)C4CC4; c4c( CN(C1CC1)C(c2ccc(cc2)c3ccc(cc3)OC)=O)c(c cc4)OCCCCCC(O)=O |
6-(2-{[cyclopropyl(4'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid |
| 9621 |  7ST |
1 | C32 H28 Cl N9 O4 | InChI=1S/C32H28ClN9O4/c1- 20-10-22(11-23(13-34)30(2 0)44)24-17-42(18-28(43)38 -26-12-27(35-15-25(26)33) 40-6-8-46-9-7-40)31-29(24 )32(45)41(19-36-31)5-3-4- 21-14-37-39(2)16-21/h10-1 2,14-17,19,44H,5-9,18H2,1 -2H3,(H,35,38,43); GOJWPRIJLIIWBN-UHFFFAOYSA-N |
Cc1cc(cc(c1O)C#N)c2cn(c3c2C(=O)N(C=N3)CC #Cc4cnn(c4)C)CC(=O)Nc5cc(ncc5Cl)N6CCOCC6 ; N#Cc1cc(cc(C)c1O)c1cn(CC(=O)Nc2cc(ncc2 Cl)N2CCOCC2)c2N=CN(CC#Cc3cn(C)nc3)C(=O)c 12; Cn1cc(cn1)C#CCN2C=Nc3n(CC(=O)Nc4cc(n cc4Cl)N5CCOCC5)cc(c6cc(C)c(O)c(c6)C#N)c3 C2=O |
N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-{5-(3-cyano-4-hydroxy-5-methylphenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide |
| 9622 |  7SU CHEMBL4651002 DB18745 |
4 | C25 H18 Cl3 F N2 O4 | InChI=1S/C25H18Cl3FN2O4/c 1-12-11-31(17-6-4-5-13(19 (12)17)7-8-18(32)33)24(34 )21-22(30-35-23(21)25(2,3 )29)20-15(27)9-14(26)10-1 6(20)28/h4-11H,1-3H3,(H,3 2,33)/b8-7+; BOOMBLZEOHXPPX-BQYQJAHWSA-N |
Cc1cn(c2c1c(ccc2)C=CC(=O)O)C(=O)c3c(noc3 C(C)(C)F)c4c(cc(cc4Cl)Cl)Cl; Cc1cn(C(=O) c2c(onc2c3c(Cl)cc(Cl)cc3Cl)C(C)(C)F)c4cc cc(C=CC(O)=O)c14; Cc1cn(C(=O)c2c(onc2c3c (Cl)cc(Cl)cc3Cl)C(C)(C)F)c4cccc(\C=C\C(O )=O)c14; Cc1cn(c2c1c(ccc2)/C=C/C(=O)O)C( =O)c3c(noc3C(C)(C)F)c4c(cc(cc4Cl)Cl)Cl |
(E)-3-(1-(5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbonyl)-3-methyl-1H-indol-4-yl)acrylic acid ; (2E)-3-(1-{[5-(2-Fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)-1,2-oxazol-4-yl]carbonyl}-3-methyl-1H-indol-4-yl)prop-2-enoic acid |
| 9623 |  7SV |
2 | C29 H30 F N O4 | InChI=1S/C29H30FNO4/c30-2 6-10-5-4-9-25(26)21-13-15 -22(16-14-21)29(34)31(24- 17-18-24)20-23-8-3-6-11-2 7(23)35-19-7-1-2-12-28(32 )33/h3-6,8-11,13-16,24H,1 -2,7,12,17-20H2,(H,32,33); AXMUDGKRIPSDEA-UHFFFAOYSA-N |
c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccc cc4F)OCCCCCC(=O)O; OC(=O)CCCCCOc1ccccc1C N(C2CC2)C(=O)c3ccc(cc3)c4ccccc4F; c4(c(C N(C(c1ccc(cc1)c2ccccc2F)=O)C3CC3)cccc4)O CCCCCC(=O)O |
6-(2-{[cyclopropyl(2'-fluoro[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid |
| 9624 |  7SW |
1 | C31 H53 N O4 | InChI=1S/C31H53NO4/c1-20( 6-11-27(33)32-17-14-28(34 )35)24-9-10-25-23-8-7-22- 18-21(19-29(2,3)36)12-15- 30(22,4)26(23)13-16-31(24 ,25)5/h20-26,36H,6-19H2,1 -5H3,(H,32,33)(H,34,35)/t 20-,21-,22-,23+,24-,25+,2 6+,30+,31-/m1/s1; ZDSAGRUYIZLIJR-XARXUAFMSA-N |
C[C@H](CCC(=O)NCCC(=O)O)[C@H]1CC[C@@H]2[ C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@ H](C4)CC(C)(C)O)C)C; C[C@H](CCC(=O)NCCC( O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@ H](CC[C@]4(C)[C@H]3CC[C@]12C)CC(C)(C)O; CC(CCC(=O)NCCC(=O)O)C1CCC2C1(CCC3C2CCC4C 3(CCC(C4)CC(C)(C)O)C)C; C[CH](CCC(=O)NCC C(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[ C]4(C)[CH]3CC[C]12C)CC(C)(C)O |
3-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-(2-hydroxy-2-methylpropyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)propanoic acid |
| 9625 |  7SX CHEMBL4576418 ZINC000621478201 |
1 | C12 H14 N O4 P | InChI=1S/C12H14NO4P/c1-7- 3-8(2)12-9(6-18(15,16)17) 5-11(14)13-10(12)4-7/h3-5 H,6H2,1-2H3,(H,13,14)(H2, 15,16,17); HMRCSSLTJXSSFR-UHFFFAOYSA-N |
Cc1cc(C)c2C(=CC(=O)Nc2c1)C[P](O)(O)=O; C c1cc2c(c(c1)C)C(CP(O)(O)=O)=CC(=O)N2; Cc 1cc(c2c(c1)NC(=O)C=C2CP(=O)(O)O)C |
[(5,7-dimethyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid |
| 9626 |  7SY |
2 | C29 H30 F N O4 | InChI=1S/C29H30FNO4/c30-2 5-9-6-8-23(19-25)21-12-14 -22(15-13-21)29(34)31(26- 16-17-26)20-24-7-3-4-10-2 7(24)35-18-5-1-2-11-28(32 )33/h3-4,6-10,12-15,19,26 H,1-2,5,11,16-18,20H2,(H, 32,33); MNZOAOAVCAPVOP-UHFFFAOYSA-N |
c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccc c(c4)F)OCCCCCC(=O)O; OC(=O)CCCCCOc1ccccc 1CN(C2CC2)C(=O)c3ccc(cc3)c4cccc(F)c4; c4 c(CN(C1CC1)C(c3ccc(c2cc(F)ccc2)cc3)=O)c( ccc4)OCCCCCC(O)=O |
6-(2-{[cyclopropyl(3'-fluoro[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid |
| 9627 |  7SZ |
1 | C33 H31 Cl N10 O3 | InChI=1S/C33H31ClN10O3/c1 -21-11-23(12-24(14-35)31( 21)46)25-18-44(32-30(25)3 3(47)43(20-37-32)6-4-5-22 -15-38-41(3)17-22)19-29(4 5)39-27-13-28(36-16-26(27 )34)42-9-7-40(2)8-10-42/h 11-13,15-18,20,46H,6-10,1 9H2,1-3H3,(H,36,39,45); CMQWRJRMCRNHCO-UHFFFAOYSA-N |
CN1CCN(CC1)c2cc(NC(=O)Cn3cc(c4cc(C)c(O)c (c4)C#N)c5C(=O)N(CC#Cc6cnn(C)c6)C=Nc35)c (Cl)cn2; Cc1cc(cc(c1O)C#N)c2cn(c3c2C(=O) N(C=N3)CC#Cc4cnn(c4)C)CC(=O)Nc5cc(ncc5Cl )N6CCN(CC6)C; Cn1cc(C#CCN2C=Nc3n(CC(=O)N c4cc(ncc4Cl)N4CCN(C)CC4)cc(c4cc(C#N)c(O) c(C)c4)c3C2=O)cn1 |
N-[5-chloro-2-(4-methylpiperazin-1-yl)pyridin-4-yl]-2-{5-(3-cyano-4-hydroxy-5-methylphenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide |
| 9628 |  7T0 CHEMBL5178575 |
1 | C9 H4 Cl2 F3 N3 | InChI=1S/C9H4Cl2F3N3/c10- 5-1-2-6(17-4-3-15-16-17)8 (11)7(5)9(12,13)14/h1-4H; XVFXHCLMGYJAQI-UHFFFAOYSA-N |
FC(F)(F)c1c(Cl)ccc(n2ccnn2)c1Cl; c1cc(c( c(c1n2ccnn2)Cl)C(F)(F)F)Cl |
1-[2,4-bis(chloranyl)-3-(trifluoromethyl)phenyl]-1,2,3-triazole; 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole |
| 9629 |  7T1 CHEMBL38943 DB05416 ZINC000001549989 |
2 | C21 H18 F3 N O3 S2 | InChI=1S/C21H18F3NO3S2/c1 -12-9-16(7-8-17(12)28-10- 19(26)27)29-11-18-13(2)25 -20(30-18)14-3-5-15(6-4-1 4)21(22,23)24/h3-9H,10-11 H2,1-2H3,(H,26,27); YDBLKRPLXZNVNB-UHFFFAOYSA-N |
Cc1cc(ccc1OCC(=O)O)SCc2c(nc(s2)c3ccc(cc3 )C(F)(F)F)C; Cc1cc(SCc2sc(nc2C)c3ccc(cc3 )C(F)(F)F)ccc1OCC(O)=O; c1cc(C(F)(F)F)cc c1c2sc(c(n2)C)CSc3cc(C)c(cc3)OCC(=O)O |
{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)sulfanyl]phenoxy}acetic acid |
| 9630 |  7T2 |
0 | C10 H12 Cl N O2 | InChI=1S/C10H12ClNO2/c1-1 2-9(10(13)14)6-7-2-4-8(11 )5-3-7/h2-5,9,12H,6H2,1H3 ,(H,13,14)/t9-/m0/s1; PVXYVWVFWHBBMH-VIFPVBQESA-N |
CN[C@@H](Cc1ccc(Cl)cc1)C(O)=O; CNC(Cc1cc c(cc1)Cl)C(=O)O; CN[C@@H](Cc1ccc(cc1)Cl) C(=O)O; CN[CH](Cc1ccc(Cl)cc1)C(O)=O |
(2S)-3-(4-chlorophenyl)-2-(methylamino)propanoic acid |
| 9631 |  7T5 |
1 | C30 H35 F N4 O3 | InChI=1S/C30H35FN4O3/c1-1 9(2)30(38)35-18-25(34-29( 37)27-14-24(31)16-32-27)1 5-26(35)17-33-28(36)23-12 -10-22(11-13-23)9-8-21-6- 4-20(3)5-7-21/h4-7,10-13, 19,24-27,32H,14-18H2,1-3H 3,(H,33,36)(H,34,37)/t24- ,25+,26+,27-/m0/s1; JWAHLGPUOAMWDB-YAOOYPAMSA-N |
Cc1ccc(cc1)C#Cc2ccc(cc2)C(=O)NC[C@H]3C[C @H](CN3C(=O)C(C)C)NC(=O)[C@@H]4C[C@@H](C N4)F; CC(C)C(=O)N1C[CH](C[CH]1CNC(=O)c2c cc(cc2)C#Cc3ccc(C)cc3)NC(=O)[CH]4C[CH](F )CN4; Cc1ccc(cc1)C#Cc2ccc(cc2)C(=O)NCC3C C(CN3C(=O)C(C)C)NC(=O)C4CC(CN4)F; CC(C)C (=O)N1C[C@@H](C[C@@H]1CNC(=O)c2ccc(cc2)C #Cc3ccc(C)cc3)NC(=O)[C@@H]4C[C@H](F)CN4 |
(2S,4S)-4-fluoranyl-N-[(3R,5R)-5-[[[4-[2-(4-methylphenyl)ethynyl]phenyl]carbonylamino]methyl]-1-(2-methylpropanoyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide |
| 9632 |  7T6 |
2 | C9 H11 N O5 S | InChI=1S/C9H11NO5S/c1-4-3 -16-7(6(15-2)9(13)14)10-5 (4)8(11)12/h6-7H,1,3H2,2H 3,(H,11,12)(H,13,14)/t6-, 7-/m1/s1; DOPBSRLSQLUMSV-RNFRBKRXSA-N |
COC(C1N=C(C(=C)CS1)C(=O)O)C(=O)O; CO[C@H ]([C@@H]1N=C(C(=C)CS1)C(=O)O)C(=O)O; CO[ C@H]([C@H]1SCC(=C)C(=N1)C(O)=O)C(O)=O; C O[CH]([CH]1SCC(=C)C(=N1)C(O)=O)C(O)=O |
(2R)-2-[(1S)-1-methoxy-2-oxidanyl-2-oxidanylidene-ethyl]-5-methylidene-2H-1,3-thiazine-4-carboxylic acid |
| 9633 |  7T7 CHEMBL3929298 |
2 | C21 H23 N3 O3 | InChI=1S/C21H23N3O3/c25-2 0(22-11-15-9-10-27-14-15) 16-5-7-19(8-6-16)23-21(26 )24-12-17-3-1-2-4-18(17)1 3-24/h1-8,15H,9-14H2,(H,2 2,25)(H,23,26)/t15-/m0/s1; BLZJCPAXCWJANZ-HNNXBMFYSA-N |
O=C(Nc1ccc(cc1)C(=O)NC[CH]2CCOC2)N3Cc4cc ccc4C3; c1ccc2c(c1)CN(C2)C(=O)Nc3ccc(cc3 )C(=O)NCC4CCOC4; c1ccc2c(c1)CN(C2)C(=O)N c3ccc(cc3)C(=O)NC[C@@H]4CCOC4; O=C(Nc1cc c(cc1)C(=O)NC[C@@H]2CCOC2)N3Cc4ccccc4C3; N(C(c1ccc(cc1)NC(N2Cc3ccccc3C2)=O)=O)CC 4CCOC4 |
N-[4-({[(3S)-oxolan-3-yl]methyl}carbamoyl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide |
| 9634 |  7T8 CHEMBL4518651 ZINC000003945398 |
4 | C31 H37 N O10 | InChI=1S/C31H37NO10/c1-16 (33)38-15-30(5)22-13-24(4 0-18(3)35)31(6)27(29(22,4 )10-9-23(30)39-17(2)34)26 (36)25-21(42-31)12-20(41- 28(25)37)19-8-7-11-32-14- 19/h7-8,11-12,14,22-24,26 -27,36H,9-10,13,15H2,1-6H 3/t22-,23+,24+,26+,27-,29 +,30+,31-/m1/s1; PMMQOFWSZRQWEV-RVTXXDJVSA-N |
CC(=O)OCC1(C(CCC2(C1CC(C3(C2C(C4=C(O3)C= C(OC4=O)c5cccnc5)O)C)OC(=O)C)C)OC(=O)C)C ; CC(=O)OC[C]1(C)[CH](CC[C]2(C)[CH]1C[CH ](OC(C)=O)[C]3(C)OC4=C([CH](O)[CH]23)C(= O)OC(=C4)c5cccnc5)OC(C)=O; CC(=O)OC[C@]1 (C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(C)=O )[C@@]3(C)OC4=C([C@H](O)[C@H]23)C(=O)OC( =C4)c5cccnc5)OC(C)=O; CC(=O)OC[C@@]1([C@ H](CC[C@]2([C@H]1C[C@@H]([C@@]3([C@@H]2[ C@H](C4=C(O3)C=C(OC4=O)c5cccnc5)O)C)OC(= O)C)C)OC(=O)C)C; CC(=O)OC1CCC2(C)C(CC(OC (C)=O)C3(C)OC=4C=C(OC(=O)C=4C(O)C32)c2cc cnc2)C1(C)COC(C)=O |
(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-4-[(acetyloxy)methyl]-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-3,6-diyl diacetate |
| 9635 |  7T9 CHEMBL1214399 ZINC000034658852 |
2 | C17 H19 F N2 O2 S | InChI=1S/C17H19FN2O2S/c1- 11(2)23(21,22)20-16-8-13- 4-3-12(7-15(13)9-16)14-5- 6-17(18)19-10-14/h3-7,10- 11,16,20H,8-9H2,1-2H3/t16 -/m0/s1; QXQSUBKWSHMXDP-INIZCTEOSA-N |
CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)c3ccc( nc3)F; Fc3ncc(c1cc2c(cc1)CC(NS(=O)(=O)C( C)C)C2)cc3; CC(C)S(=O)(=O)NC1Cc2ccc(cc2C 1)c3ccc(nc3)F; CC(C)[S](=O)(=O)N[CH]1Cc2 ccc(cc2C1)c3ccc(F)nc3; CC(C)[S](=O)(=O)N [C@H]1Cc2ccc(cc2C1)c3ccc(F)nc3 |
N-[(2S)-5-(6-FLUORO-3-PYRIDINYL)-2,3-DIHYDRO-1H-INDEN-2-YL]-2-PROPANESULFONAMIDE |
| 9636 |  7TA |
2 | C23 H26 N4 O2 | InChI=1S/C23H26N4O2/c1-16 (2)22(28)26-11-8-18(9-12- 26)17-3-5-21(6-4-17)25-23 (29)27-14-19-7-10-24-13-2 0(19)15-27/h3-7,10,13-16, 18H,8-9,11-12H2,1-2H3,(H, 25,29); UXDAQOSAZJARDY-UHFFFAOYSA-N |
CC(C)C(=O)N1CCC(CC1)c2ccc(NC(=O)n3cc4ccn cc4c3)cc2; CC(C)C(=O)N1CCC(CC1)c2ccc(cc2 )NC(=O)n3cc4ccncc4c3; N(C(n2cc1c(ccnc1)c 2)=O)c4ccc(C3CCN(CC3)C(=O)C(C)C)cc4 |
N-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-pyrrolo[3,4-c]pyridine-2-carboxamide |
| 9637 |  7TB CHEMBL1433361 DB13500 ZINC000008214636 |
1 | C29 H43 N2 O4 | InChI=1S/C29H42N2O4/c1-5- 8-9-10-11-14-22-34-27-16- 13-12-15-26(27)28(32)30-2 5-19-17-24(18-20-25)29(33 )35-23-21-31(4,6-2)7-3/h1 2-13,15-20H,5-11,14,21-23 H2,1-4H3/p+1; NQHNLNLJPDMBFN-UHFFFAOYSA-O |
CCCCCCCCOc1ccccc1C(=O)Nc2ccc(cc2)C(=O)OC C[N+](C)(CC)CC |
2-[diethyl(methyl)-$l^{4}-azanyl]ethyl 4-[(2-octoxyphenyl)carbonylamino]benzoate |
| 9638 |  7TC |
2 | C11 H15 N O4 | InChI=1S/C11H15NO4/c1-5-6 (2)10(11(15)16)12-9(5)8(4 -13)7(3)14/h4-5,7-9,14H,2 H2,1,3H3,(H,15,16)/t5-,7+ ,8+,9+/m0/s1; GGYAWCWTCNLFOB-KDBVAPGDSA-N |
C[C@@H](O)[C@@H](C=O)[C@@H]1N=C(C(O)=O)C (=C)[C@@H]1C; C[CH](O)[CH](C=O)[CH]1N=C( C(O)=O)C(=C)[CH]1C; C[C@@H]1[C@@H](N=C(C 1=C)C(=O)O)[C@H](C=O)[C@@H](C)O; CC1C(N= C(C1=C)C(=O)O)C(C=O)C(C)O |
(2R,3S)-3-methyl-4-methylidene-2-[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydropyrrole-5-carboxylic acid |
| 9639 |  7TD CHEMBL4097399 |
2 | C16 H21 N3 O4 | InChI=1S/C16H21N3O4/c1-4- 5-10-23-12-8-6-11(7-9-12) 14(20)18-13(15(21)19-22)1 6(2,3)17/h6-9,13,22H,10,1 7H2,1-3H3,(H,18,20)(H,19, 21)/t13-/m1/s1; JPCUWLVKAJJSLN-CYBMUJFWSA-N |
CC#CCOc1ccc(cc1)C(=O)NC(C(=O)NO)C(C)(C)N ; CC#CCOc1ccc(cc1)C(=O)N[CH](C(=O)NO)C(C )(C)N; CC#CCOc1ccc(cc1)C(=O)N[C@H](C(=O) NO)C(C)(C)N; C(C(NO)=O)(C(C)(C)N)NC(=O)c 1ccc(OCC#CC)cc1 |
N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(but-2-yn-1-yl)oxy]benzamide |
| 9640 |  7TE |
0 | C10 H14 N5 O6 P | InChI=1S/C10H14N5O6P/c11- 8-6-9(13-2-12-8)15(3-14-6 )10-7(16)5(1-20-10)21-4-2 2(17,18)19/h2-3,5,7,10,16 H,1,4H2,(H2,11,12,13)(H2, 17,18,19)/t5-,7+,10+/m0/s 1; BXHBMXLCBPCKJC-WVBSTYLSSA-N |
Nc1ncnc2n(cnc12)[C@@H]3OC[C@H](OC[P](O)( O)=O)[C@H]3O; c1nc(c2c(n1)n(cn2)C3C(C(CO 3)OCP(=O)(O)O)O)N; O=P(O)(O)COC1COC(n2cn c3c(N)ncnc32)C1O; c1nc(c2c(n1)n(cn2)[C@H ]3[C@@H]([C@H](CO3)OCP(=O)(O)O)O)N; Nc1n cnc2n(cnc12)[CH]3OC[CH](OC[P](O)(O)=O)[C H]3O |
(S)-({[(3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}methyl)phosphinic acid |
| 9641 |  7TF |
1 | C34 H40 F N5 O4 | InChI=1S/C34H40FN5O4/c35- 28-17-30(36-20-28)32(41)3 8-29-18-31(40(22-29)34(43 )27-11-12-27)33(42)37-19- 25-7-3-23(4-8-25)1-2-24-5 -9-26(10-6-24)21-39-13-15 -44-16-14-39/h3-10,27-31, 36H,11-22H2,(H,37,42)(H,3 8,41)/t28-,29+,30-,31+/m0 /s1; QHISDRDMHBJAEJ-XFBWMNOSSA-N |
F[C@@H]1CN[C@@H](C1)C(=O)N[C@@H]2C[C@@H] (N(C2)C(=O)C3CC3)C(=O)NCc4ccc(cc4)C#Cc5c cc(CN6CCOCC6)cc5; c1cc(ccc1CNC(=O)C2CC(C N2C(=O)C3CC3)NC(=O)C4CC(CN4)F)C#Cc5ccc(c c5)CN6CCOCC6; c1cc(ccc1CNC(=O)[C@H]2C[C@ H](CN2C(=O)C3CC3)NC(=O)[C@@H]4C[C@@H](CN 4)F)C#Cc5ccc(cc5)CN6CCOCC6; F[CH]1CN[CH] (C1)C(=O)N[CH]2C[CH](N(C2)C(=O)C3CC3)C(= O)NCc4ccc(cc4)C#Cc5ccc(CN6CCOCC6)cc5 |
(2R,4R)-1-cyclopropylcarbonyl-4-[[(2S,4S)-4-fluoranylpyrrolidin-2-yl]carbonylamino]-N-[[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]methyl]pyrrolidine-2-carboxamide |
| 9642 |  7TG ZINC000040682498 |
4 | C20 H31 N2 O6 P | InChI=1S/C20H31N2O6P/c1-2 1-14-10-20-8-7-18(28-29(2 4,25)26)16(11-20)19(23)17 (22(20)12-14)9-13-3-5-15( 27-2)6-4-13/h3-6,14,16-19 ,21,23H,7-12H2,1-2H3,(H2, 24,25,26)/t14-,16-,17-,18 -,19-,20+/m0/s1; CIISYBZFZSWZLX-KKMIJOEASA-N |
CN[C@H]1C[C@]23CC[C@@H]([C@H](C2)[C@@H]( [C@@H](N3C1)Cc4ccc(cc4)OC)O)OP(=O)(O)O; CN[CH]1CN2[CH](Cc3ccc(OC)cc3)[CH](O)[CH] 4C[C]2(CC[CH]4O[P](O)(O)=O)C1; CNC1CC23C CC(C(C2)C(C(N3C1)Cc4ccc(cc4)OC)O)OP(=O)( O)O; CN[C@@H]1CN2[C@@H](Cc3ccc(OC)cc3)[C @@H](O)[C@H]4C[C@@]2(CC[C@@H]4O[P](O)(O) =O)C1 |
[(1S,3S,6S,7S,8R,9S)-6-[(4-methoxyphenyl)methyl]-3-(methylamino)-7-oxidanyl-5-azatricyclo[6.3.1.0^1,5]dodecan-9-yl] dihydrogen phosphate |
| 9643 |  7TH CHEMBL1256759 ZINC000003873822 |
2 | C16 H16 N2 O4 | InChI=1S/C16H16N2O4/c19-1 6(20)14-11-13(18(21)22)8- 9-15(14)17-10-4-7-12-5-2- 1-3-6-12/h1-3,5-6,8-9,11, 17H,4,7,10H2,(H,19,20); WBSMIPAMAXNXFS-UHFFFAOYSA-N |
OC(=O)c1cc(ccc1NCCCc2ccccc2)[N+]([O-])=O ; [O-][N+](=O)c1ccc(NCCCc2ccccc2)c(c1)C( =O)O; c1ccc(cc1)CCCNc2ccc(cc2C(=O)O)[N+] (=O)[O-] |
5-nitro-2-[(3-phenylpropyl)amino]benzoic acid |
| 9644 |  7TI CHEMBL1474129 DB11389 ZINC000002001200 |
4 | C8 H8 Cl3 N3 O4 S2 | InChI=1S/C8H8Cl3N3O4S2/c9 -7(8(10)11)3-1-4(12)6(20( 14,17)18)2-5(3)19(13,15)1 6/h1-2H,12H2,(H2,13,15,16 )(H2,14,17,18); QOVTVIYTBRHADL-UHFFFAOYSA-N |
c1c(c(cc(c1N)S(=O)(=O)N)S(=O)(=O)N)C(=C( Cl)Cl)Cl; Nc1cc(C(Cl)=C(Cl)Cl)c(cc1[S](N )(=O)=O)[S](N)(=O)=O |
4-azanyl-6-[1,2,2-tris(chloranyl)ethenyl]benzene-1,3-disulfonamide; clorsulon |
| 9645 |  7TJ CHEMBL3727964 ZINC000219223132 |
1 | C28 H22 Cl F3 N4 O4 | InChI=1S/C28H22ClF3N4O4/c 1-16-13-34-27(29)35-24(16 )19-6-8-20(9-7-19)36(25(3 9)22-11-10-21(37)12-23(22 )38)15-18-4-2-17(3-5-18)1 4-33-26(40)28(30,31)32/h2 -13,37-38H,14-15H2,1H3,(H ,33,40); JGLCKAMQSKRYAP-UHFFFAOYSA-N |
Clc4nc(c3ccc(N(C(=O)c1ccc(O)cc1O)Cc2ccc( cc2)CNC(=O)C(F)(F)F)cc3)c(cn4)C; Cc1cnc( nc1c2ccc(cc2)N(Cc3ccc(cc3)CNC(=O)C(F)(F) F)C(=O)c4ccc(cc4O)O)Cl; Cc1cnc(Cl)nc1c2c cc(cc2)N(Cc3ccc(CNC(=O)C(F)(F)F)cc3)C(=O )c4ccc(O)cc4O |
N-[4-(2-CHLORO-5-METHYLPYRIMIDIN-4-YL)PHENYL]-2,4-DIHYDROXY-N-(4-{[(TRIFLUOROACETYL)AMINO]METHYL}BENZYL)BENZAMIDE |
| 9646 |  7TK CHEMBL499101 |
0 | C8 H14 N2 O3 | InChI=1S/C8H14N2O3/c9-6(5 -7(11)12)8(13)10-3-1-2-4- 10/h6H,1-5,9H2,(H,11,12)/ t6-/m0/s1; MGJPXVYXTDEHEJ-LURJTMIESA-N |
N[CH](CC(O)=O)C(=O)N1CCCC1; C1CCN(C1)C(= O)C(CC(=O)O)N; C1CCN(C1)C(=O)[C@H](CC(=O )O)N; N[C@@H](CC(O)=O)C(=O)N1CCCC1 |
(3S)-3-azanyl-4-oxidanylidene-4-pyrrolidin-1-yl-butanoic acid |
| 9647 |  7TL CHEMBL4446995 ZINC000215332403 |
9 | C21 H18 Cl F3 N4 O4 S | InChI=1S/C21H18ClF3N4O4S/ c1-33-20(32)15-13(8-29-9- 21(24,25)7-14(29)19(30)31 )27-17(18-26-4-5-34-18)28 -16(15)11-3-2-10(23)6-12( 11)22/h2-6,14,16H,7-9H2,1 H3,(H,27,28)(H,30,31)/t14 -,16-/m0/s1; PEWCUEKNYZSVSW-HOCLYGCPSA-N |
COC(=O)C1=C(CN2CC(F)(F)C[CH]2C(O)=O)NC(= N[CH]1c3ccc(F)cc3Cl)c4sccn4; COC(=O)C1=C (CN2CC(F)(F)C[C@H]2C(O)=O)NC(=N[C@H]1c3c cc(F)cc3Cl)c4sccn4; COC(=O)C1=C(NC(=N[C@ H]1c2ccc(cc2Cl)F)c3nccs3)CN4CC(C[C@H]4C( =O)O)(F)F; COC(=O)C1=C(NC(=NC1c2ccc(cc2C l)F)c3nccs3)CN4CC(CC4C(=O)O)(F)F |
(2S)-1-[[(4R)-4-(2-chloranyl-4-fluoranyl-phenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid |
| 9648 |  7TM CHEMBL2171843 ZINC000095557233 |
1 | C36 H42 N6 O5 S | InChI=1S/C36H42N6O5S/c1-4 -5-6-7-18-39-36(43)47-33- 11-8-27(9-12-33)20-30-24- 41(25-31-22-38-26-40(31)2 )35-17-10-28(21-37)19-29( 35)23-42(30)48(44,45)34-1 5-13-32(46-3)14-16-34/h8- 17,19,22,26,30H,4-7,18,20 ,23-25H2,1-3H3,(H,39,43)/ t30-/m1/s1; HGCSBLLHUYZWLK-SSEXGKCCSA-N |
CCCCCCNC(=O)Oc1ccc(C[CH]2CN(Cc3cncn3C)c4 ccc(cc4CN2[S](=O)(=O)c5ccc(OC)cc5)C#N)cc 1; CCCCCCNC(=O)Oc1ccc(C[C@@H]2CN(Cc3cncn 3C)c4ccc(cc4CN2[S](=O)(=O)c5ccc(OC)cc5)C #N)cc1; CCCCCCNC(=O)Oc1ccc(cc1)CC2CN(c3c cc(cc3CN2S(=O)(=O)c4ccc(cc4)OC)C#N)Cc5cn cn5C; CCCCCCNC(=O)Oc1ccc(cc1)C[C@@H]2CN( c3ccc(cc3CN2S(=O)(=O)c4ccc(cc4)OC)C#N)Cc 5cncn5C; O=C(Oc1ccc(cc1)CC2N(Cc4cc(C#N)c cc4N(C2)Cc3cncn3C)S(=O)(=O)c5ccc(OC)cc5) NCCCCCC |
4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl hexylcarbamate |
| 9649 |  7TN CHEMBL2107455 DB12233 ZINC000100018451 |
1 | C17 H14 N2 O6 S | InChI=1S/C17H14N2O6S/c1-2 6(22,23)19-13-8-15-12(17( 21)14(9-24-15)18-10-20)7- 16(13)25-11-5-3-2-4-6-11/ h2-10,19H,1H3,(H,18,20); ANMATWQYLIFGOK-UHFFFAOYSA-N |
CS(=O)(=O)Nc1cc2c(cc1Oc3ccccc3)C(=O)C(=C O2)NC=O; CS(=O)(=O)Nc1cc2OC=C(NC=O)C(=O) c2cc1Oc1ccccc1; C[S](=O)(=O)Nc1cc2OC=C(N C=O)C(=O)c2cc1Oc3ccccc3 |
Iguratimod; T 614; T-614; T614; N-(7-(Methylsulfonamido)-4-oxo-6-phenoxy-4H-chromen-3-yl)formamide; Careram; Kolbet |
| 9650 |  7TO CHEMBL2171689 ZINC000095552295 |
1 | C30 H28 F3 N5 O6 S2 | InChI=1S/C30H28F3N5O6S2/c 1-36-20-35-16-25(36)19-37 -18-24(14-21-3-6-27(7-4-2 1)44-46(41,42)30(31,32)33 )38(17-23-13-22(15-34)5-1 2-29(23)37)45(39,40)28-10 -8-26(43-2)9-11-28/h3-13, 16,20,24H,14,17-19H2,1-2H 3/t24-/m1/s1; UWPNBUBRZHEORK-XMMPIXPASA-N |
Cn1cncc1CN2CC(N(Cc3c2ccc(c3)C#N)S(=O)(=O )c4ccc(cc4)OC)Cc5ccc(cc5)OS(=O)(=O)C(F)( F)F; COc1ccc(cc1)[S](=O)(=O)N2Cc3cc(ccc3 N(C[C@H]2Cc4ccc(O[S](=O)(=O)C(F)(F)F)cc4 )Cc5cncn5C)C#N; COc1ccc(cc1)[S](=O)(=O)N 2Cc3cc(ccc3N(C[CH]2Cc4ccc(O[S](=O)(=O)C( F)(F)F)cc4)Cc5cncn5C)C#N; Cn1cncc1CN2C[C @H](N(Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4 )OC)Cc5ccc(cc5)OS(=O)(=O)C(F)(F)F; FC(F) (F)S(=O)(=O)Oc1ccc(cc1)CC2N(Cc4cc(C#N)cc c4N(C2)Cc3cncn3C)S(=O)(=O)c5ccc(OC)cc5 |
4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl trifluoromethanesulfonate |
| 9651 |  7TP CHEMBL2171691 ZINC000095552957 |
2 | C33 H32 N4 O6 S | InChI=1S/C33H32N4O6S/c1-3 5-22-34-17-27(35)20-36-19 -26(15-23-3-6-28(39)7-4-2 3)37(44(40,41)31-11-8-29( 42-2)9-12-31)18-25-16-24( 5-13-32(25)36)33-14-10-30 (21-38)43-33/h3-14,16-17, 21-22,26,39H,15,18-20H2,1 -2H3/t26-/m1/s1; HXGORCFYRJWSGR-AREMUKBSSA-N |
COc1ccc(cc1)[S](=O)(=O)N2Cc3cc(ccc3N(C[C @H]2Cc4ccc(O)cc4)Cc5cncn5C)c6oc(C=O)cc6; Cn1cncc1CN2C[C@H](N(Cc3c2ccc(c3)c4ccc(o 4)C=O)S(=O)(=O)c5ccc(cc5)OC)Cc6ccc(cc6)O ; Cn1cncc1CN2CC(N(Cc3c2ccc(c3)c4ccc(o4)C =O)S(=O)(=O)c5ccc(cc5)OC)Cc6ccc(cc6)O; C Oc1ccc(cc1)[S](=O)(=O)N2Cc3cc(ccc3N(C[CH ]2Cc4ccc(O)cc4)Cc5cncn5C)c6oc(C=O)cc6; O =Cc6oc(c1cc4c(cc1)N(Cc2cncn2C)CC(N(S(=O) (=O)c3ccc(OC)cc3)C4)Cc5ccc(O)cc5)cc6 |
5-{(3R)-3-(4-hydroxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}furan-2-carbaldehyde |
| 9652 |  7TQ CHEMBL2171687 ZINC000095555128 |
2 | C37 H36 N6 O5 S | InChI=1S/C37H36N6O5S/c1-4 1-26-39-22-32(41)25-42-24 -31(19-27-8-11-34(12-9-27 )48-37(44)40-21-28-6-4-3- 5-7-28)43(23-30-18-29(20- 38)10-17-36(30)42)49(45,4 6)35-15-13-33(47-2)14-16- 35/h3-18,22,26,31H,19,21, 23-25H2,1-2H3,(H,40,44)/t 31-/m1/s1; ISPKWTLKQCPKQN-WJOKGBTCSA-N |
O=C(Oc1ccc(cc1)CC2N(Cc4cc(C#N)ccc4N(C2)C c3cncn3C)S(=O)(=O)c5ccc(OC)cc5)NCc6ccccc 6; Cn1cncc1CN2C[C@H](N(Cc3c2ccc(c3)C#N)S (=O)(=O)c4ccc(cc4)OC)Cc5ccc(cc5)OC(=O)NC c6ccccc6; Cn1cncc1CN2CC(N(Cc3c2ccc(c3)C# N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccc(cc5)OC(=O )NCc6ccccc6; COc1ccc(cc1)[S](=O)(=O)N2Cc 3cc(ccc3N(C[C@H]2Cc4ccc(OC(=O)NCc5ccccc5 )cc4)Cc6cncn6C)C#N; COc1ccc(cc1)[S](=O)( =O)N2Cc3cc(ccc3N(C[CH]2Cc4ccc(OC(=O)NCc5 ccccc5)cc4)Cc6cncn6C)C#N |
4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate |
| 9653 |  7TR CHEMBL2171688 ZINC000095555667 |
2 | C34 H38 N6 O5 S | InChI=1S/C34H38N6O5S/c1-5 -38(6-2)34(41)45-31-10-7- 25(8-11-31)18-28-22-39(23 -29-20-36-24-37(29)3)33-1 6-9-26(19-35)17-27(33)21- 40(28)46(42,43)32-14-12-3 0(44-4)13-15-32/h7-17,20, 24,28H,5-6,18,21-23H2,1-4 H3/t28-/m1/s1; IQZAPWUUBMPSLO-MUUNZHRXSA-N |
CCN(CC)C(=O)Oc1ccc(cc1)C[C@@H]2CN(c3ccc( cc3CN2S(=O)(=O)c4ccc(cc4)OC)C#N)Cc5cncn5 C; CCN(CC)C(=O)Oc1ccc(C[CH]2CN(Cc3cncn3C )c4ccc(cc4CN2[S](=O)(=O)c5ccc(OC)cc5)C#N )cc1; O=C(Oc1ccc(cc1)CC2N(Cc4cc(C#N)ccc4 N(C2)Cc3cncn3C)S(=O)(=O)c5ccc(OC)cc5)N(C C)CC; CCN(CC)C(=O)Oc1ccc(cc1)CC2CN(c3ccc (cc3CN2S(=O)(=O)c4ccc(cc4)OC)C#N)Cc5cncn 5C; CCN(CC)C(=O)Oc1ccc(C[C@@H]2CN(Cc3cnc n3C)c4ccc(cc4CN2[S](=O)(=O)c5ccc(OC)cc5) C#N)cc1 |
4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl diethylcarbamate |
| 9654 |  7TS DB03097 ZINC000002046808 |
7 | C11 H14 N3 O7 P | InChI=1S/C11H14N3O7P/c1-6 -10(15)8(3-13-9-5-20-14-1 1(9)16)7(2-12-6)4-21-22(1 7,18)19/h2,5,13,15H,3-4H2 ,1H3,(H,14,16)(H2,17,18,1 9); PXWFNGNWQUPGPJ-UHFFFAOYSA-N |
Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CONC2=O)O; Cc1ncc(CO[P](O)(O)=O)c(CNC2=CONC2=O)c1O ; n2c(C)c(O)c(CNC=1C(=O)NOC=1)c(c2)COP(O )(O)=O |
(5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate |
| 9655 |  7TT ZINC000256012799 |
7 | H6 O13 P4 | InChI=1S/H6O13P4/c1-14(2, 3)11-16(7,8)13-17(9,10)12 -15(4,5)6/h(H,7,8)(H,9,10 )(H2,1,2,3)(H2,4,5,6); YDHWWBZFRZWVHO-UHFFFAOYSA-N |
O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O) (O)=O; OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O) (O)O |
Tetraphosphate; [oxidanyl(phosphonooxy)phosphoryl] phosphono hydrogen phosphate; [oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate |
| 9656 |  7TU |
1 | C38 H34 N4 | InChI=1S/C38H34N4/c1-5-16 -31(17-6-1)35-37(33-20-9- 3-10-21-33)41(27-39-35)25 -29-14-13-15-30(24-29)26- 42-28-40-36(32-18-7-2-8-1 9-32)38(42)34-22-11-4-12- 23-34/h1-24,27-28,35-38H, 25-26H2/t35-,36-,37-,38-/ m0/s1; ZEPLDQLACIWPGK-ZQWQDMLBSA-N |
c1ccc(cc1)[C@H]2[C@@H](N(C=N2)Cc3cccc(c3 )CN4C=N[C@H]([C@@H]4c5ccccc5)c6ccccc6)c7 ccccc7; c1ccc(cc1)C2C(N(C=N2)Cc3cccc(c3) CN4C=NC(C4c5ccccc5)c6ccccc6)c7ccccc7; C( N1C=N[CH]([CH]1c2ccccc2)c3ccccc3)c4cccc( CN5C=N[CH]([CH]5c6ccccc6)c7ccccc7)c4; C( N1C=N[C@H]([C@@H]1c2ccccc2)c3ccccc3)c4cc cc(CN5C=N[C@H]([C@@H]5c6ccccc6)c7ccccc7) c4 |
(4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole |
| 9657 |  7TV |
1 | C29 H33 N O5 | InChI=1S/C29H33NO5/c31-28 (32)14-2-1-7-19-34-27-12- 6-3-9-24(27)21-30(25-10-4 -5-11-25)29(33)23-17-15-2 2(16-18-23)26-13-8-20-35- 26/h3,6,8-9,12-13,15-18,2 0,25H,1-2,4-5,7,10-11,14, 19,21H2,(H,31,32); ACPRTHSTODRCJL-UHFFFAOYSA-N |
OC(=O)CCCCCOc1ccccc1CN(C2CCCC2)C(=O)c3cc c(cc3)c4occc4; c1ccc(c(c1)CN(C2CCCC2)C(= O)c3ccc(cc3)c4ccco4)OCCCCCC(=O)O; c4c(CN (C1CCCC1)C(c2ccc(cc2)c3occc3)=O)c(OCCCCC C(=O)O)ccc4 |
6-[2-({cyclopentyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid |
| 9658 |  7TW CHEMBL5430461 ZINC000118411219 |
3 | C17 H15 N3 O4 | InChI=1S/C17H15N3O4/c21-1 7(22)14-9-12(20(23)24)5-6 -16(14)18-8-7-11-10-19-15 -4-2-1-3-13(11)15/h1-6,9- 10,18-19H,7-8H2,(H,21,22); GOMFPMNFGUSIKQ-UHFFFAOYSA-N |
c1ccc2c(c1)c(c[nH]2)CCNc3ccc(cc3C(=O)O)[ N+](=O)[O-]; [O-][N+](=O)c1ccc(NCCc2c[NH ]c3ccccc32)c(c1)C(=O)O; OC(=O)c1cc(ccc1N CCc2c[nH]c3ccccc23)[N+]([O-])=O |
2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid |
| 9659 |  7TX ZINC000584905355 |
2 | C25 H29 F N4 O3 | InChI=1S/C25H29FN4O3/c1-1 6(2)9-11-29-12-10-18(15-2 9)27-24(32)20-13-17(7-8-2 1(20)26)14-30-22-6-4-3-5- 19(22)23(31)28-25(30)33/h 3-8,13,16,18H,9-12,14-15H 2,1-2H3,(H,27,32)(H,28,31 ,33)/t18-/m1/s1; CHTZEODVNXPKCZ-GOSISDBHSA-N |
CC(C)CCN1CCC(C1)NC(=O)c2cc(ccc2F)CN3c4cc ccc4C(=O)NC3=O; CC(C)CCN1CC[C@H](C1)NC(= O)c2cc(CN3C(=O)NC(=O)c4ccccc34)ccc2F; CC (C)CCN1CC[CH](C1)NC(=O)c2cc(CN3C(=O)NC(= O)c4ccccc34)ccc2F; CC(C)CCN1CC[C@H](C1)N C(=O)c2cc(ccc2F)CN3c4ccccc4C(=O)NC3=O |
5-[[2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]-2-fluoranyl-N-[(3R)-1-(3-methylbutyl)pyrrolidin-3-yl]benzamide |
| 9660 |  7TY |
2 | C29 H33 N O5 | InChI=1S/C29H33NO5/c31-28 (32)12-2-1-7-18-35-27-11- 6-3-8-24(27)20-30(26-9-4- 5-10-26)29(33)23-15-13-22 (14-16-23)25-17-19-34-21- 25/h3,6,8,11,13-17,19,21, 26H,1-2,4-5,7,9-10,12,18, 20H2,(H,31,32); NAVKABWFOLEGSI-UHFFFAOYSA-N |
c1c(c(ccc1)OCCCCCC(O)=O)CN(C2CCCC2)C(c4c cc(c3cocc3)cc4)=O; c1ccc(c(c1)CN(C2CCCC2 )C(=O)c3ccc(cc3)c4ccoc4)OCCCCCC(=O)O; OC (=O)CCCCCOc1ccccc1CN(C2CCCC2)C(=O)c3ccc( cc3)c4cocc4 |
6-[2-({cyclopentyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid |
| 9661 |  7TZ |
1 | C32 H28 N6 O2 | InChI=1S/C32H28N6O2/c1-4- 33-32(40)30(38-31(39)25-1 2-14-27-29(19-25)37-21(3) 20(2)36-27)18-23-8-5-22(6 -9-23)7-10-24-11-13-26-28 (17-24)35-16-15-34-26/h5- 6,8-9,11-17,19,30H,4,18H2 ,1-3H3,(H,33,40)(H,38,39) /t30-/m0/s1; NWRUSGJCZMKYKB-PMERELPUSA-N |
CCNC(=O)[CH](Cc1ccc(cc1)C#Cc2ccc3nccnc3c 2)NC(=O)c4ccc5nc(C)c(C)nc5c4; CCNC(=O)[C @H](Cc1ccc(cc1)C#Cc2ccc3nccnc3c2)NC(=O)c 4ccc5nc(C)c(C)nc5c4; CCNC(=O)C(Cc1ccc(cc 1)C#Cc2ccc3c(c2)nccn3)NC(=O)c4ccc5c(c4)n c(c(n5)C)C; CCNC(=O)[C@H](Cc1ccc(cc1)C#C c2ccc3c(c2)nccn3)NC(=O)c4ccc5c(c4)nc(c(n 5)C)C |
N-[(2S)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide |
| 9662 |  7U0 |
0 | C39 H44 N8 O5 | InChI=1S/C39H44N8O5/c40-1 3-20-50-27-23-32(38(48)44 -36-25-34(28-9-1-3-11-30( 28)42-36)51-21-18-46-14-5 -6-15-46)41-33(24-27)39(4 9)45-37-26-35(29-10-2-4-1 2-31(29)43-37)52-22-19-47 -16-7-8-17-47/h1-4,9-12,2 3-26H,5-8,13-22,40H2,(H,4 2,44,48)(H,43,45,49); ZNJSVFXFCLLIKA-UHFFFAOYSA-N |
c1ccc2c(c1)c(cc(n2)NC(=O)c3cc(cc(n3)C(=O )Nc4cc(c5ccccc5n4)OCCN6CCCC6)OCCN)OCCN7C CCC7; NCCOc1cc(nc(c1)C(=O)Nc2cc(OCCN3CCC C3)c4ccccc4n2)C(=O)Nc5cc(OCCN6CCCC6)c7cc ccc7n5 |
4-(2-azanylethoxy)-N2,N6-bis[4-(2-pyrrolidin-1-ylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide |
| 9663 |  7U1 |
2 | C29 H31 N O4 | InChI=1S/C29H31NO4/c31-28 (32)13-5-2-8-20-34-27-12- 7-6-11-25(27)21-30(26-18- 19-26)29(33)24-16-14-23(1 5-17-24)22-9-3-1-4-10-22/ h1,3-4,6-7,9-12,14-17,26H ,2,5,8,13,18-21H2,(H,31,3 2); XWRSFMVWMRKGCC-UHFFFAOYSA-N |
c1cccc(c1CN(C2CC2)C(c3ccc(cc3)c4ccccc4)= O)OCCCCCC(O)=O; OC(=O)CCCCCOc1ccccc1CN(C 2CC2)C(=O)c3ccc(cc3)c4ccccc4; c1ccc(cc1) c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C 4CC4 |
6-(2-{[([1,1'-biphenyl]-4-carbonyl)(cyclopropyl)amino]methyl}phenoxy)hexanoic acid |
| 9664 |  7U2 ZINC000096244517 |
2 | C22 H27 F N4 O | InChI=1S/C22H27FN4O/c1-15 -18-12-28-14-22(20(18)26- 21(25-15)24-10-16-6-7-16) 8-9-27(13-22)11-17-4-2-3- 5-19(17)23/h2-5,16H,6-14H 2,1H3,(H,24,25,26)/t22-/m 0/s1; YMQILTXHLHBFSK-QFIPXVFZSA-N |
Fc1ccccc1CN1CCC2(C1)COCc1c(C)nc(NCC3CC3) nc12; Cc1nc(NCC2CC2)nc3c1COC[C]34CCN(Cc5 ccccc5F)C4; Cc1nc(NCC2CC2)nc3c1COC[C@@]3 4CCN(Cc5ccccc5F)C4; Cc1c2c(nc(n1)NCC3CC3 )[C@]4(CCN(C4)Cc5ccccc5F)COC2; Cc1c2c(nc (n1)NCC3CC3)C4(CCN(C4)Cc5ccccc5F)COC2 |
(3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine |
| 9665 |  7U3 ZINC000584905426 |
2 | C13 H14 F N3 O2 | InChI=1S/C13H14FN3O2/c14- 9-1-2-10-11(5-9)12(18)16- 17-13(10)19-7-8-3-4-15-6- 8/h1-2,5,8,15H,3-4,6-7H2, (H,16,18)/t8-/m1/s1; PARCVGQDXZYJOY-MRVPVSSYSA-N |
c1cc2c(cc1F)C(=O)NN=C2OC[C@@H]3CCNC3; Fc 1ccc2C(=NNC(=O)c2c1)OC[C@@H]3CCNC3; c1cc 2c(cc1F)C(=O)NN=C2OCC3CCNC3; Fc1ccc2C(=N NC(=O)c2c1)OC[CH]3CCNC3 |
7-fluoranyl-4-[[(3R)-pyrrolidin-3-yl]methoxy]-2H-phthalazin-1-one |
| 9666 |  7U4 |
2 | C28 H30 N2 O4 | InChI=1S/C28H30N2O4/c31-2 7(32)10-2-1-5-18-34-26-9- 4-3-7-24(26)20-30(25-15-1 6-25)28(33)22-13-11-21(12 -14-22)23-8-6-17-29-19-23 /h3-4,6-9,11-14,17,19,25H ,1-2,5,10,15-16,18,20H2,( H,31,32); LNCQVUMJUZJEIR-UHFFFAOYSA-N |
OC(=O)CCCCCOc1ccccc1CN(C2CC2)C(=O)c3ccc( cc3)c4cccnc4; n4cccc(c1ccc(cc1)C(N(Cc2cc ccc2OCCCCCC(O)=O)C3CC3)=O)c4; c1ccc(c(c1 )CN(C2CC2)C(=O)c3ccc(cc3)c4cccnc4)OCCCCC C(=O)O |
6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid |
| 9667 |  7U5 |
1 | C32 H28 N6 O2 | InChI=1S/C32H28N6O2/c1-4- 33-32(40)30(38-31(39)25-1 2-14-27-29(19-25)37-21(3) 20(2)36-27)18-23-8-5-22(6 -9-23)7-10-24-11-13-26-28 (17-24)35-16-15-34-26/h5- 6,8-9,11-17,19,30H,4,18H2 ,1-3H3,(H,33,40)(H,38,39) /t30-/m1/s1; NWRUSGJCZMKYKB-SSEXGKCCSA-N |
CCNC(=O)[CH](Cc1ccc(cc1)C#Cc2ccc3nccnc3c 2)NC(=O)c4ccc5nc(C)c(C)nc5c4; CCNC(=O)[C @@H](Cc1ccc(cc1)C#Cc2ccc3nccnc3c2)NC(=O) c4ccc5nc(C)c(C)nc5c4; CCNC(=O)[C@@H](Cc1 ccc(cc1)C#Cc2ccc3c(c2)nccn3)NC(=O)c4ccc5 c(c4)nc(c(n5)C)C; CCNC(=O)C(Cc1ccc(cc1)C #Cc2ccc3c(c2)nccn3)NC(=O)c4ccc5c(c4)nc(c (n5)C)C |
N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide |
| 9668 |  7U6 CHEMBL4076155 ZINC000584905383 |
2 | C13 H15 N5 O2 | InChI=1S/C13H15N5O2/c14-1 1(19)8-2-1-3-9-10(8)17-12 (16-9)13(20)18-6-4-15-5-7 -18/h1-3,15H,4-7H2,(H2,14 ,19)(H,16,17); HTXIMVGBKIQCLG-UHFFFAOYSA-N |
c1cc(c2c(c1)[nH]c(n2)C(=O)N3CCNCC3)C(=O) N; NC(=O)c1cccc2[nH]c(nc12)C(=O)N3CCNCC3 |
2-piperazin-1-ylcarbonyl-1H-benzimidazole-4-carboxamide |
| 9669 |  7U7 CHEMBL4217067 |
2 | C27 H29 N O5 | InChI=1S/C27H29NO5/c29-26 (30)10-2-1-5-17-32-25-8-4 -3-7-22(25)19-28(23-15-16 -23)27(31)21-13-11-20(12- 14-21)24-9-6-18-33-24/h3- 4,6-9,11-14,18,23H,1-2,5, 10,15-17,19H2,(H,29,30); CQKNIDGIDMCYLZ-UHFFFAOYSA-N |
OC(=O)CCCCCOc1ccccc1CN(C2CC2)C(=O)c3ccc( cc3)c4occc4; c1ccc(c(c1)CN(C2CC2)C(=O)c3 ccc(cc3)c4ccco4)OCCCCCC(=O)O; c4c(CN(C1C C1)C(c3ccc(c2occc2)cc3)=O)c(OCCCCCC(O)=O )ccc4 |
6-[2-({cyclopropyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid |
| 9670 |  7U8 CHEMBL489557 |
2 | C22 H14 Cl3 N3 O2 | InChI=1S/C22H14Cl3N3O2/c1 -30-22(29)21-20(14-8-26-1 8-3-2-10(23)4-11(14)18)15 (9-28-21)13-7-27-19-6-17( 25)16(24)5-12(13)19/h2-9, 26-28H,1H3; HJXJUNZGSRTQEN-UHFFFAOYSA-N |
COC(=O)c1c(c(c[nH]1)c2c[nH]c3c2cc(c(c3)C l)Cl)c4c[nH]c5c4cc(cc5)Cl; COC(=O)c1[nH] cc(c2c[nH]c3cc(Cl)c(Cl)cc23)c1c4c[nH]c5c cc(Cl)cc45 |
methyl 4-[5,6-bis(chloranyl)-1H-indol-3-yl]-3-(5-chloranyl-1H-indol-3-yl)-1H-pyrrole-2-carboxylate; Lynamicin B |
| 9671 |  7U9 ZINC000584905462 |
2 | C13 H15 N5 O2 | InChI=1S/C13H15N5O2/c14-7 -4-5-18(6-7)13(20)12-16-9 -3-1-2-8(11(15)19)10(9)17 -12/h1-3,7H,4-6,14H2,(H2, 15,19)(H,16,17)/t7-/m1/s1; WHEDMAICUFWICE-SSDOTTSWSA-N |
N[CH]1CCN(C1)C(=O)c2[nH]c3cccc(C(N)=O)c3 n2; c1cc(c2c(c1)[nH]c(n2)C(=O)N3CCC(C3)N )C(=O)N; c1cc(c2c(c1)[nH]c(n2)C(=O)N3CC[ C@H](C3)N)C(=O)N; N[C@@H]1CCN(C1)C(=O)c2 [nH]c3cccc(C(N)=O)c3n2 |
2-[(3R)-3-azanylpyrrolidin-1-yl]carbonyl-1H-benzimidazole-4-carboxamide |
| 9672 |  7UA |
2 | C27 H29 N O5 | InChI=1S/C27H29NO5/c29-26 (30)8-2-1-5-16-33-25-7-4- 3-6-22(25)18-28(24-13-14- 24)27(31)21-11-9-20(10-12 -21)23-15-17-32-19-23/h3- 4,6-7,9-12,15,17,19,24H,1 -2,5,8,13-14,16,18H2,(H,2 9,30); JXTGKWHQFWZAGE-UHFFFAOYSA-N |
c4c(CN(C1CC1)C(c3ccc(c2cocc2)cc3)=O)c(cc c4)OCCCCCC(O)=O; OC(=O)CCCCCOc1ccccc1CN( C2CC2)C(=O)c3ccc(cc3)c4cocc4; c1ccc(c(c1 )CN(C2CC2)C(=O)c3ccc(cc3)c4ccoc4)OCCCCCC (=O)O |
6-[2-({cyclopropyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid |
| 9673 |  7UB |
1 | C25 H29 N7 O2 | InChI=1S/C25H29N7O2/c1-34 -21-6-4-20(5-7-21)32-14-1 8-13-27-24(26-12-17-2-3-1 7)29-22(18)25(23(32)33)9- 11-31(16-25)15-19-8-10-28 -30-19/h4-8,10,13,17H,2-3 ,9,11-12,14-16H2,1H3,(H,2 8,30)(H,26,27,29)/t25-/m1 /s1; CBHUSCSYQHQLDW-RUZDIDTESA-N |
COc1ccc(cc1)N1Cc2cnc(NCC3CC3)nc2C2(CN(Cc 3ccn[NH]3)CC2)C1=O; COc1ccc(cc1)N2Cc3cnc (nc3C4(C2=O)CCN(C4)Cc5ccn[nH]5)NCC6CC6; COc1ccc(cc1)N2Cc3cnc(nc3[C@@]4(C2=O)CCN( C4)Cc5ccn[nH]5)NCC6CC6; COc1ccc(cc1)N2Cc 3cnc(NCC4CC4)nc3[C]5(CCN(Cc6[nH]ncc6)C5) C2=O; COc1ccc(cc1)N2Cc3cnc(NCC4CC4)nc3[C @]5(CCN(Cc6[nH]ncc6)C5)C2=O |
(3'R)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1H-pyrazol-5-yl)methyl]-5,6-dihydro-7H-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one |
| 9674 |  7UC |
9 | C6 H11 N O4 | InChI=1S/C6H11NO4/c1-4(2- 5(8)9)7-3-6(10)11/h4,7H,2 -3H2,1H3,(H,8,9)(H,10,11) /t4-/m1/s1; VRGLRLBEHJTRMK-SCSAIBSYSA-N |
CC(CC(=O)O)NCC(=O)O; C[C@H](CC(O)=O)NCC( O)=O; C[CH](CC(O)=O)NCC(O)=O; C[C@H](CC( =O)O)NCC(=O)O |
(3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid |
| 9675 |  7UD |
2 | C31 H31 N O5 | InChI=1S/C31H31NO5/c33-30 (34)13-5-2-8-19-37-29-12- 7-6-11-27(29)22-32(21-24- 9-3-1-4-10-24)31(35)26-16 -14-25(15-17-26)28-18-20- 36-23-28/h1,3-4,6-7,9-12, 14-18,20,23H,2,5,8,13,19, 21-22H2,(H,33,34); CZHIBTNBECNVRL-UHFFFAOYSA-N |
OC(=O)CCCCCOc1ccccc1CN(Cc2ccccc2)C(=O)c3 ccc(cc3)c4cocc4; c1ccc(cc1)CN(Cc2ccccc2O CCCCCC(=O)O)C(=O)c3ccc(cc3)c4ccoc4; c4c( CN(Cc1ccccc1)C(c3ccc(c2cocc2)cc3)=O)c(cc c4)OCCCCCC(=O)O |
6-[2-({benzyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid |
| 9676 |  7UE ZINC000002456126 |
1 | C10 H8 N2 O2 | InChI=1S/C10H8N2O2/c13-10 (14)8-5-9(7-11-6-8)12-3-1 -2-4-12/h1-7H,(H,13,14); MBHJQDUXANKYCO-UHFFFAOYSA-N |
c1ccn(c1)c2cc(cnc2)C(=O)O; OC(=O)c1cncc( c1)n2cccc2 |
5-pyrrol-1-ylpyridine-3-carboxylic acid |
| 9677 |  7UG |
2 | C31 H31 N O4 S | InChI=1S/C31H31NO4S/c33-3 0(34)13-5-2-8-19-36-29-12 -7-6-11-27(29)22-32(21-24 -9-3-1-4-10-24)31(35)26-1 6-14-25(15-17-26)28-18-20 -37-23-28/h1,3-4,6-7,9-12 ,14-18,20,23H,2,5,8,13,19 ,21-22H2,(H,33,34); LCUAKWMXLAJBQD-UHFFFAOYSA-N |
c4c(CN(Cc1ccccc1)C(c3ccc(c2cscc2)cc3)=O) c(ccc4)OCCCCCC(=O)O; OC(=O)CCCCCOc1ccccc 1CN(Cc2ccccc2)C(=O)c3ccc(cc3)c4cscc4; c1 ccc(cc1)CN(Cc2ccccc2OCCCCCC(=O)O)C(=O)c3 ccc(cc3)c4ccsc4 |
6-[2-({benzyl[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid |
| 9678 |  7UH CHEMBL1527608 DB09273 ZINC000000003837 |
7 | C11 H14 N4 O4 | InChI=1S/C11H14N4O4/c1-13 -9-8(10(16)14(2)11(13)17) 15(6-12-9)5-7-18-3-4-19-7 /h6-7H,3-5H2,1-2H3; HWXIGFIVGWUZAO-UHFFFAOYSA-N |
CN1C(=O)N(C)c2ncn(CC3OCCO3)c2C1=O; CN1c2 c(n(cn2)CC3OCCO3)C(=O)N(C1=O)C |
Doxofylline; 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione |
| 9679 |  7UI CHEMBL5170690 |
1 | C22 H16 Br F3 N4 O2 | InChI=1S/C22H16BrF3N4O2/c 1-32-17-8-6-16(7-9-17)30- 11-14-10-27-21(28-12-22(2 4,25)26)29-19(14)18(20(30 )31)13-2-4-15(23)5-3-13/h 2-11H,12H2,1H3,(H,28,29); QHXQQFITXAUNPR-UHFFFAOYSA-N |
FC(F)(F)CNC=1N=CC2=CN(C(=O)C(=C2N=1)c1cc c(Br)cc1)c1ccc(OC)cc1; COc1ccc(cc1)N2C=C 3C=NC(=NC3=C(C2=O)c4ccc(Br)cc4)NCC(F)(F) F; COc1ccc(cc1)N2C=C3C=NC(=NC3=C(C2=O)c4 ccc(cc4)Br)NCC(F)(F)F |
8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol |
| 9680 |  7UJ |
2 | C29 H33 N O4 | InChI=1S/C29H33NO4/c1-22( 2)30(29(33)25-18-16-24(17 -19-25)23-11-5-3-6-12-23) 21-26-13-8-9-14-27(26)34- 20-10-4-7-15-28(31)32/h3, 5-6,8-9,11-14,16-19,22H,4 ,7,10,15,20-21H2,1-2H3,(H ,31,32); IMQRUZYLMYCWBI-UHFFFAOYSA-N |
CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc( cc2)c3ccccc3; c1c(c(ccc1)OCCCCCC(O)=O)CN (C(C)C)C(c2ccc(cc2)c3ccccc3)=O; CC(C)N(C c1ccccc1OCCCCCC(O)=O)C(=O)c2ccc(cc2)c3cc ccc3 |
6-(2-{[([1,1'-biphenyl]-4-carbonyl)(propan-2-yl)amino]methyl}phenoxy)hexanoic acid |
| 9681 |  7UK ZINC000004521593 |
4 | C4 H7 N O2 | InChI=1S/C4H7NO2/c6-3-1-4 (7)5-2-3/h3,6H,1-2H2,(H,5 ,7)/t3-/m1/s1; IOGISYQVOGVIEU-GSVOUGTGSA-N |
C1[C@H](CNC1=O)O; C1C(CNC1=O)O; O[CH]1CN C(=O)C1; O[C@H]1CNC(=O)C1 |
(R)-4-hydroxy-2-pyrrolidone; (4R)-4-oxidanylpyrrolidin-2-one; (R)-4-hydroxypyrrolidin-2-one |
| 9682 |  7UL ZINC000584905369 |
2 | C22 H20 F4 N4 O3 | InChI=1S/C22H20F4N4O3/c23 -17-6-5-14(12-30-18-4-2-1 -3-15(18)19(31)27-21(30)3 3)11-16(17)20(32)29-9-7-2 8(8-10-29)13-22(24,25)26/ h1-6,11H,7-10,12-13H2,(H, 27,31,33); FXIHNPKFBVVLGF-UHFFFAOYSA-N |
c1ccc2c(c1)C(=O)NC(=O)N2Cc3ccc(c(c3)C(=O )N4CCN(CC4)CC(F)(F)F)F; Fc1ccc(CN2C(=O)N C(=O)c3ccccc23)cc1C(=O)N4CCN(CC4)CC(F)(F )F |
1-[[4-fluoranyl-3-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione |
| 9683 |  7UM ZINC000000224909 |
3 | C9 H12 N4 O2 | InChI=1S/C9H12N4O2/c1-3-4 -13-5-10-7-6(13)8(14)11-9 (15)12(7)2/h5H,3-4H2,1-2H 3,(H,11,14,15); MHNVSFOURBQRPK-UHFFFAOYSA-N |
CCCn1cnc2c1C(=O)NC(=O)N2C; CCCn1cnc2N(C) C(=O)NC(=O)c12 |
3-methyl-7-propyl-purine-2,6-dione |
| 9684 |  7UN CHEMBL5178902 |
1 | C23 H16 Cl F3 N6 O | InChI=1S/C23H16ClF3N6O/c1 -32-10-14-8-17(6-7-18(14) 31-32)33-11-15-9-28-22(29 -12-23(25,26)27)30-20(15) 19(21(33)34)13-2-4-16(24) 5-3-13/h2-11H,12H2,1H3,(H ,29,30); XXCYDSDPIJJBSI-UHFFFAOYSA-N |
Cn1cc2cc(ccc2n1)N3C=C4C=NC(=NC4=C(C3=O)c 5ccc(cc5)Cl)NCC(F)(F)F; Cn1cc2cc(ccc2n1) N3C=C4C=NC(=NC4=C(C3=O)c5ccc(Cl)cc5)NCC( F)(F)F; FC(F)(F)CNC=1N=CC2=CN(c3cc4cn(C) nc4cc3)C(=O)C(c3ccc(Cl)cc3)=C2N=1 |
(8R)-8-(4-chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7(6H)-one |
| 9685 |  7UO |
1 | C21 H25 N6 O3 | InChI=1S/C21H24N6O3/c1-3- 26-12-15-8-14(4-5-17(15)2 2-7-6-20(26)29)10-24-21(3 0)16-11-23-18-9-19(28)25- 27(18)13(16)2/h4-5,8,11,2 2H,3,6-7,9-10,12H2,1-2H3, (H-,24,25,28,30)/p+1; LHEOUBYGNUOQPC-UHFFFAOYSA-O |
CCN1Cc2cc(CNC(=O)c3cnc4CC(=O)N[n+]4c3C)c cc2NCCC1=O; CCN1Cc2cc(ccc2NCCC1=O)CNC(=O )c3cnc4[n+](c3C)NC(=O)C4 |
~{N}-[(5-ethyl-4-oxidanylidene-1,2,3,6-tetrahydro-1,5-benzodiazocin-8-yl)methyl]-7-methyl-2-oxidanylidene-1,3-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide |
| 9686 |  7UP CHEMBL561413 ZINC000033504117 |
1 | C22 H19 N3 | InChI=1S/C22H19N3/c23-22( 24)20-8-7-17-11-15(3-5-18 (17)13-20)1-2-16-4-6-21-1 4-25-10-9-19(21)12-16/h3- 8,11-13,25H,9-10,14H2,(H3 ,23,24); ACKRFKIRNILEQJ-UHFFFAOYSA-N |
c1cc2cc(ccc2cc1C#Cc3ccc4c(c3)CCNC4)C(=N) N; [H]/N=C(/c1ccc2cc(ccc2c1)C#Cc3ccc4c(c 3)CCNC4)\N; NC(=N)c1ccc2cc(ccc2c1)C#Cc3c cc4CNCCc4c3; [N@H]=C(N)c4ccc3cc(C#Cc1ccc 2c(c1)CCNC2)ccc3c4 |
6-(1,2,3,4-tetrahydroisoquinolin-6-ylethynyl)naphthalene-2-carboximidamide |
| 9687 |  7UQ |
2 | C15 H12 F3 N O2 | InChI=1S/C15H12F3NO2/c16- 12-7-10(4-2-6-20)14(13(17 )8-12)21-9-11-3-1-5-19-15 (11)18/h1,3,5-8H,2,4,9H2; JDBPMPUNUPHSOJ-UHFFFAOYSA-N |
Fc1cc(F)c(OCc2cccnc2F)c(CCC=O)c1; c1cc(c (nc1)F)COc2c(cc(cc2F)F)CCC=O |
3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-3-yl)methoxy]phenyl]propanal |
| 9688 |  7UR ZINC000034230995 |
1 | C24 H21 F N2 O3 | InChI=1S/C24H21FN2O3/c1-1 5(18-11-12-21(25)20-7-3-2 -6-19(18)20)24(30)27-22-1 3-16(14-26)9-10-17(22)5-4 -8-23(28)29/h2-3,6-7,9-13 ,15H,4-5,8H2,1H3,(H,27,30 )(H,28,29)/t15-/m1/s1; MTDIMKNAJUQTIO-OAHLLOKOSA-N |
C[C@@H](C(=O)Nc1cc(ccc1CCCC(O)=O)C#N)c2c cc(F)c3ccccc23; CC(c1ccc(c2c1cccc2)F)C(= O)Nc3cc(ccc3CCCC(=O)O)C#N; C[CH](C(=O)Nc 1cc(ccc1CCCC(O)=O)C#N)c2ccc(F)c3ccccc23; C[C@H](c1ccc(c2c1cccc2)F)C(=O)Nc3cc(ccc 3CCCC(=O)O)C#N |
4-[4-cyano-2-[[(2R)-2-(4-fluoranylnaphthalen-1-yl)propanoyl]amino]phenyl]butanoic acid |
| 9689 |  7US |
1 | C48 H67 N7 O13 | InChI=1S/C48H67N7O13/c1-2 3-12-11-13-24(2)46(62)50- 38-37-36(51-48(52-37)15-1 7-53(18-16-48)19-20-54-29 (7)49-22-32(54)55(63)64)3 3-34(42(38)60)41(59)28(6) 44-35(33)45(61)47(9,68-44 )66-21-14-31(65-10)25(3)4 3(67-30(8)56)27(5)40(58)2 6(4)39(23)57/h22-27,31,39 -40,43,52,57-59H,11-21H2, 1-10H3,(H,50,62)/t23-,24+ ,25+,26+,27+,31-,39-,40+, 43+,47-/m0/s1; YCJZZHMRIASIJJ-XTGRINFNSA-N |
CO[C@H]1CCO[C@@]2(C)Oc3c(C)c(O)c4C(=O)C( =C5NC6(CCN(CCn7c(C)ncc7[N+]([O-])=O)CC6) N=C5c4c3C2=O)NC(=O)[C@H](C)CCC[C@H](C)[C @H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O C(C)=O)[C@@H]1C; [O-][N+](=O)c1cnc(C)n1C CN1CCC2(CC1)NC=1C(=N2)c2c3C(=O)C4(C)Oc3c (C)c(O)c2C(=O)C=1NC(=O)C(C)CCCC(C)C(O)C( C)C(O)C(C)C(OC(C)=O)C(C)C(OC)CCO4; Cc1c( c2c3c4c1OC(C4=O)(OCCC(C(C(C(C(C(C(C(CCCC (C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CCn7c(ncc7 [N+](=O)[O-])C)C2=O)C)C)O)C)O)C)OC(=O)C) C)OC)C)O; Cc1c(c2c3c4c1O[C@@](C4=O)(OCC[ C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([ C@H]([C@H](CCC[C@H](C(=O)NC(=C5C3=NC6(N5 )CCN(CC6)CCn7c(ncc7[N+](=O)[O-])C)C2=O)C )C)O)C)O)C)OC(=O)C)C)OC)C)O; CO[CH]1CCO[ C]2(C)Oc3c(C)c(O)c4C(=O)C(=C5NC6(CCN(CCn 7c(C)ncc7[N+]([O-])=O)CC6)N=C5c4c3C2=O)N C(=O)[CH](C)CCC[CH](C)[CH](O)[CH](C)[CH] (O)[CH](C)[CH](OC(C)=O)[CH]1C |
(3aM,9S,10bP,14S,15R,16S,17R,18R,19R,20S,21S,25R)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate |
| 9690 |  7UT CHEMBL1606365 ZINC000001641919 |
1 | C13 H26 O3 | InChI=1S/C13H26O3/c1-16-1 2-10-8-6-4-2-3-5-7-9-11-1 3(14)15/h2-12H2,1H3,(H,14 ,15); OGLQEYICTWWJQB-UHFFFAOYSA-N |
COCCCCCCCCCCCC(O)=O; COCCCCCCCCCCCC(=O)O | 12-methoxylauric acid; 12-methoxydodecanoic acid |
| 9691 |  7UU CHEMBL4082235 ZINC000101665954 |
1 | C18 H18 N2 O3 S | InChI=1S/C18H18N2O3S/c1-2 0(18(22)16-8-4-11-24-16)1 0-5-9-19-14-12-17(21)23-1 5-7-3-2-6-13(14)15/h2-4,6 -8,11-12,19H,5,9-10H2,1H3; GHTHAUJPTBYQOJ-UHFFFAOYSA-N |
CN(CCCNC1=CC(=O)Oc2c1cccc2)C(=O)c3cccs3; CN(CCCNC1=CC(=O)Oc2ccccc12)C(=O)c3sccc3 |
~{N}-methyl-~{N}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide |
| 9692 |  7UV |
2 | C14 H13 B2 Cl O3 | InChI=1S/C14H13B2ClO3/c17 -14-9-12(15-18)7-6-11(14) 5-4-10-2-1-3-13(8-10)16(1 9)20/h1-9,15,18-20H/b5-4+; ZFFBGRNKFXBELR-SNAWJCMRSA-N |
B(c1ccc(c(c1)Cl)/C=C/c2cccc(c2)B(O)O)O; OBc1ccc(/C=C/c2cccc(c2)B(O)O)c(Cl)c1; OB c1ccc(C=Cc2cccc(c2)B(O)O)c(Cl)c1; B(c1cc c(c(c1)Cl)C=Cc2cccc(c2)B(O)O)O; c1(BO)cc c(c(c1)Cl)[C@H]=[C@H]c2cc(ccc2)B(O)O |
(3-{(E)-2-[2-chloro-4-(hydroxyboranyl)phenyl]ethenyl}phenyl)boronic acid |
| 9693 |  7UW |
1 | C15 H12 F3 N O2 | InChI=1S/C15H12F3NO2/c16- 12-7-11(2-1-5-20)15(13(17 )8-12)21-9-10-3-4-19-14(1 8)6-10/h3-8H,1-2,9H2; YHBJEWHSFVXYAO-UHFFFAOYSA-N |
Fc1cc(F)c(OCc2ccnc(F)c2)c(CCC=O)c1; c1cn c(cc1COc2c(cc(cc2F)F)CCC=O)F |
3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-4-yl)methoxy]phenyl]propanal |
| 9694 |  7UX CHEMBL5181172 |
2 | C16 H19 N3 O S | InChI=1S/C16H19N3OS/c1-19 -9-7-13(8-10-19)15(20)18- 16-17-11-14(21-16)12-5-3- 2-4-6-12/h2-6,11,13H,7-10 H2,1H3,(H,17,18,20); BTZKRRFKIKIADV-UHFFFAOYSA-N |
CN1CCC(CC1)C(=O)Nc2sc(cn2)c3ccccc3; CN1C CC(CC1)C(=O)Nc2ncc(s2)c3ccccc3 |
1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide |
| 9695 |  7UY |
2 | C27 H31 N O4 S | InChI=1S/C27H31NO4S/c1-20 (2)28(27(31)22-13-11-21(1 2-14-22)24-15-17-33-19-24 )18-23-8-5-6-9-25(23)32-1 6-7-3-4-10-26(29)30/h5-6, 8-9,11-15,17,19-20H,3-4,7 ,10,16,18H2,1-2H3,(H,29,3 0); LOGOGDCJQQSNJV-UHFFFAOYSA-N |
c1cccc(c1CN(C(C)C)C(c2ccc(cc2)c3ccsc3)=O )OCCCCCC(O)=O; CC(C)N(Cc1ccccc1OCCCCCC(= O)O)C(=O)c2ccc(cc2)c3ccsc3; CC(C)N(Cc1cc ccc1OCCCCCC(O)=O)C(=O)c2ccc(cc2)c3cscc3 |
6-[2-({(propan-2-yl)[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid |
| 9696 |  7UZ ZINC000000156783 |
1 | C10 H16 O4 | InChI=1S/C10H16O4/c11-9(1 2)8(10(13)14)6-7-4-2-1-3- 5-7/h7-8H,1-6H2,(H,11,12) (H,13,14); PYKSXWASTAWCSS-UHFFFAOYSA-N |
C1CCC(CC1)CC(C(=O)O)C(=O)O; OC(=O)C(CC1C CCCC1)C(O)=O; O=C(O)C(C(=O)O)CC1CCCCC1 |
2-(cyclohexylmethyl)propanedioic acid |
| 9697 |  7V1 CHEMBL5772156 |
2 | C27 H31 N O5 | InChI=1S/C27H31NO5/c1-20( 2)28(27(31)22-15-13-21(14 -16-22)24-11-8-18-33-24)1 9-23-9-5-6-10-25(23)32-17 -7-3-4-12-26(29)30/h5-6,8 -11,13-16,18,20H,3-4,7,12 ,17,19H2,1-2H3,(H,29,30); XNLSXTBQKZPGIP-UHFFFAOYSA-N |
c3c(CN(C(C)C)C(c1ccc(cc1)c2ccco2)=O)c(OC CCCCC(=O)O)ccc3; CC(C)N(Cc1ccccc1OCCCCCC (O)=O)C(=O)c2ccc(cc2)c3occc3; CC(C)N(Cc1 ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccco 3 |
6-[2-({[4-(furan-2-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid |
| 9698 |  7V2 |
1 | C27 H42 N4 O6 | InChI=1S/C27H42N4O6/c1-17 (2)22(31-26(36)37-16-18-9 -7-6-8-10-18)25(35)30-21( 14-27(3,4)5)24(34)29-20(1 5-32)13-19-11-12-28-23(19 )33/h6-10,17,19-22,32H,11 -16H2,1-5H3,(H,28,33)(H,2 9,34)(H,30,35)(H,31,36)/t 19-,20-,21-,22-/m0/s1; NMNHQNPORDVBGU-CMOCDZPBSA-N |
CC(C)[C@@H](C(=O)N[C@@H](CC(C)(C)C)C(=O) N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OCc2ccc cc2; CC(C)C(C(=O)NC(CC(C)(C)C)C(=O)NC(CC 1CCNC1=O)CO)NC(=O)OCc2ccccc2; CC(C)[C@H] (NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)(C)C )C(=O)N[C@H](CO)C[C@@H]2CCNC2=O; CC(C)C( NC(=O)OCc1ccccc1)C(=O)NC(CC(C)(C)C)C(=O) NC(CC1CCNC1=O)CO; CC(C)[CH](NC(=O)OCc1cc ccc1)C(=O)N[CH](CC(C)(C)C)C(=O)N[CH](CO) C[CH]2CCNC2=O |
N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide |
| 9699 |  7V3 ZINC000000155169 |
5 | C13 H12 Cl N | InChI=1S/C13H12ClN/c14-12 -8-6-11(7-9-12)13(15)10-4 -2-1-3-5-10/h1-9,13H,15H2 /t13-/m0/s1; XAFODXGEQUOEKN-ZDUSSCGKSA-N |
c1ccc(cc1)[C@@H](c2ccc(cc2)Cl)N; N[CH](c 1ccccc1)c2ccc(Cl)cc2; N[C@@H](c1ccccc1)c 2ccc(Cl)cc2; c1ccc(cc1)C(c2ccc(cc2)Cl)N |
(S)-(4-chlorophenyl)-phenyl-methanamine |
| 9700 |  7V4 |
2 | C27 H31 N O5 | InChI=1S/C27H31NO5/c1-20( 2)28(27(31)22-13-11-21(12 -14-22)24-15-17-32-19-24) 18-23-8-5-6-9-25(23)33-16 -7-3-4-10-26(29)30/h5-6,8 -9,11-15,17,19-20H,3-4,7, 10,16,18H2,1-2H3,(H,29,30 ); DGPIPSKFOSWTSM-UHFFFAOYSA-N |
CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc( cc2)c3ccoc3; CC(C)N(Cc1ccccc1OCCCCCC(O)= O)C(=O)c2ccc(cc2)c3cocc3; c3c(CN(C(C)C)C (c1ccc(cc1)c2ccoc2)=O)c(ccc3)OCCCCCC(O)= O |
6-[2-({[4-(furan-3-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid |
| 9701 |  7V5 |
0 | C20 H24 N4 | InChI=1S/C20H22N4/c1-24(2 )13-7-12-21-18-14-8-3-5-1 0-16(14)22-19-15-9-4-6-11 -17(15)23-20(18)19/h3-6,8 -11,23H,7,12-13H2,1-2H3,( H,21,22)/p+2; CTDCVGDSVHUYMA-UHFFFAOYSA-P |
C[NH+](C)CCCNc1c2[nH]c3ccccc3c2[nH+]c4cc ccc14; C[NH+](C)CCCNc1c2ccccc2[nH+]c3c1[ nH]c4c3cccc4 |
~{N}-(5~{H}-indolo[3,2-b]quinolin-11-yl)-~{N}',~{N}'-dimethyl-propane-1,3-diamine |
| 9702 |  7V6 |
1 | C16 H17 B O4 | InChI=1S/C16H17BO4/c17-12 -5-3-11(4-6-12)14(18)7-1- 10-2-8-15(19)13(9-10)16(2 0)21/h2-6,8-9,14,18-19H,1 ,7,17H2,(H,20,21)/t14-/m1 /s1; AIYINTRBIVHQTG-CQSZACIVSA-N |
Bc1ccc(cc1)[C@@H](CCc2ccc(c(c2)C(=O)O)O) O; Bc1ccc(cc1)[CH](O)CCc2ccc(O)c(c2)C(O) =O; Bc1ccc(cc1)C(CCc2ccc(c(c2)C(=O)O)O)O ; Bc1ccc(cc1)[C@H](O)CCc2ccc(O)c(c2)C(O) =O |
5-[(3R)-3-(4-boranylphenyl)-3-oxidanyl-propyl]-2-oxidanyl-benzoic acid |
| 9703 |  7V7 CHEMBL596 DB00813 ZINC000002522669 |
70 | C22 H28 N2 O | InChI=1S/C22H28N2O/c1-2-2 2(25)24(20-11-7-4-8-12-20 )21-14-17-23(18-15-21)16- 13-19-9-5-3-6-10-19/h3-12 ,21H,2,13-18H2,1H3; PJMPHNIQZUBGLI-UHFFFAOYSA-N |
CCC(=O)N(C1CCN(CC1)CCc2ccccc2)c3ccccc3; CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3; C2CC(N(c1ccccc1)C(CC)=O)CCN2CCc3ccccc3 |
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide |
| 9704 |  7V8 CHEMBL2349416 ZINC000059151964 |
0 | C31 H32 N8 O5 | InChI=1S/C31H32N8O5/c32-9 -12-42-19-15-24(30(40)38- 28-17-26(43-13-10-33)20-5 -1-3-7-22(20)36-28)35-25( 16-19)31(41)39-29-18-27(4 4-14-11-34)21-6-2-4-8-23( 21)37-29/h1-8,15-18H,9-14 ,32-34H2,(H,36,38,40)(H,3 7,39,41); VGHSATQVJCTKEF-UHFFFAOYSA-N |
NCCOc1cc(nc(c1)C(=O)Nc2cc(OCCN)c3ccccc3n 2)C(=O)Nc4cc(OCCN)c5ccccc5n4; c1ccc2c(c1 )c(cc(n2)NC(=O)c3cc(cc(n3)C(=O)Nc4cc(c5c cccc5n4)OCCN)OCCN)OCCN |
4-(2-azanylethoxy)-N2,N6-bis[4-(2-azanylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide; Pyridostatin |
| 9705 |  7V9 |
1 | C17 H26 N3 O8 P S | InChI=1S/C17H26N3O8PS/c1- 17(2,11-28-29(25,26)27)14 (22)15(23)20-7-5-13(21)19 -8-9-30-16(24)12-4-3-6-18 -10-12/h3-4,6,10,14,22H,5 ,7-9,11H2,1-2H3,(H,19,21) (H,20,23)(H2,25,26,27)/t1 4-/m1/s1; WOIGSQAUIGDQKV-CQSZACIVSA-N |
CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O) NCCSC(=O)c1cccnc1; CC(C)(CO[P](O)(O)=O)[ C@H](O)C(=O)NCCC(=O)NCCSC(=O)c1cccnc1; C C(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O )c1cccnc1)O; CC(C)(COP(=O)(O)O)[C@@H](C( =O)NCCC(=O)NCCSC(=O)c1cccnc1)O |
~{S}-[2-[3-[[(2~{S})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] pyridine-3-carbothioate |
| 9706 |  7VA |
1 | C20 H19 N3 O4 S | InChI=1S/C20H19N3O4S/c1-2 3-16-10-14(26-2)7-8-15(16 )21-18(23)11-27-13-5-3-12 (4-6-13)9-17-19(24)22-20( 25)28-17/h3-8,10,17H,9,11 H2,1-2H3,(H,22,24,25); XMSXOLDPMGMWTH-UHFFFAOYSA-N |
COc1ccc2nc(COc3ccc(C[C@@H]4SC(=O)NC4=O)c c3)n(C)c2c1; COc1ccc2nc(COc3ccc(C[CH]4SC (=O)NC4=O)cc3)n(C)c2c1; Cn1c2cc(ccc2nc1C Oc3ccc(cc3)CC4C(=O)NC(=O)S4)OC; c2c(CC1C (NC(S1)=O)=O)ccc(c2)OCc4nc3c(cc(cc3)OC)n 4C |
(5S)-5-({4-[(6-methoxy-1-methyl-1H-benzimidazol-2-yl)methoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione |
| 9707 |  7VB |
2 | C26 H38 N4 O6 | InChI=1S/C26H38N4O6/c1-16 (2)12-21(24(33)28-20(14-3 1)13-19-10-11-27-23(19)32 )29-25(34)22(17(3)4)30-26 (35)36-15-18-8-6-5-7-9-18 /h5-9,17,19-22,31H,1,10-1 5H2,2-4H3,(H,27,32)(H,28, 33)(H,29,34)(H,30,35)/t19 -,20-,21-,22-/m0/s1; BYTYQUJNXNJHDG-CMOCDZPBSA-N |
CC(C)C(C(=O)NC(CC(=C)C)C(=O)NC(CC1CCNC1= O)CO)NC(=O)OCc2ccccc2; CC(C)[C@@H](C(=O) N[C@@H](CC(=C)C)C(=O)N[C@@H](C[C@@H]1CCN C1=O)CO)NC(=O)OCc2ccccc2; CC(C)[C@H](NC( =O)OCc1ccccc1)C(=O)N[C@@H](CC(C)=C)C(=O) N[C@H](CO)C[C@@H]2CCNC2=O; CC(C)[CH](NC( =O)OCc1ccccc1)C(=O)N[CH](CC(C)=C)C(=O)N[ CH](CO)C[CH]2CCNC2=O; CC(C)C(NC(=O)OCc1c cccc1)C(=O)NC(CC(=C)C)C(=O)NC(CC1CCNC1=O )CO |
N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methylidene-L-norvalinamide |
| 9708 |  7VC CHEMBL4790706 |
4 | C17 H15 N O2 | InChI=1S/C17H15NO2/c1-11- 9-12(3-6-17(11)19)14-7-8- 18-16-10-13(20-2)4-5-15(1 4)16/h3-10,19H,1-2H3; HNYBTVKYLVLWCB-UHFFFAOYSA-N |
Cc1cc(ccc1O)c2ccnc3c2ccc(c3)OC; COc1ccc2 c(c1)nccc2c3ccc(O)c(C)c3 |
4-(7-methoxyquinolin-4-yl)-2-methyl-phenol |
| 9709 |  7VD ZINC000001720559 |
4 | C3 H7 O4 P | InChI=1S/C3H7O4P/c1-3(4)2 -8(5,6)7/h2H2,1H3,(H2,5,6 ,7); DVSHXLWNRCEDCW-UHFFFAOYSA-N |
CC(=O)C[P](O)(O)=O; CC(=O)CP(=O)(O)O; P( O)(CC(C)=O)(O)=O |
(2-oxopropyl)phosphonic acid |
| 9710 |  7VE |
0 | C31 H30 N5 O7 S | InChI=1S/C31H30N5O7S/c1-3 9-28-8-3-20-13-27-25-15-3 0-29(42-19-43-30)14-21(25 )9-11-35(27)17-26(20)31(2 8)40-12-2-10-36-16-22(33- 34-36)18-41-23-4-6-24(7-5 -23)44(32,37)38/h3-8,13-1 7H,2,9-12,18-19H2,1H3,(H2 ,32,37,38)/q+1; ZPZQYKHNQSCVCG-UHFFFAOYSA-N |
COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OCCC n6cc(COc7ccc(cc7)[S](N)(=O)=O)nn6; COc1c cc2cc-3[n+](cc2c1OCCCn4cc(nn4)COc5ccc(cc 5)S(=O)(=O)N)CCc6c3cc7c(c6)OCO7 |
4-[[1-[3-[(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15,17,19-octaen-16-yl)oxy]propyl]triazol-4-yl]methoxy]benzenesulfonamide |
| 9711 |  7VF CHEMBL5176610 |
4 | C16 H13 N O2 | InChI=1S/C16H13NO2/c1-10- 8-11(2-5-16(10)19)13-6-7- 17-15-9-12(18)3-4-14(13)1 5/h2-9,18-19H,1H3; QXFYDRYRLOHSBD-UHFFFAOYSA-N |
Cc1cc(ccc1O)c2ccnc3cc(O)ccc23; Cc1cc(ccc 1O)c2ccnc3c2ccc(c3)O |
4-(3-methyl-4-oxidanyl-phenyl)quinolin-7-ol |
| 9712 |  7VG CHEMBL4072121 |
2 | C14 H12 B Cl O4 | InChI=1S/C14H12BClO4/c16- 14-7-11(15(19)20)4-3-10(1 4)2-1-9-5-12(17)8-13(18)6 -9/h1-8,17-20H/b2-1+; KRQCUYXETWACBK-OWOJBTEDSA-N |
OB(O)c1ccc(/C=C/c2cc(O)cc(O)c2)c(Cl)c1; B(c1ccc(c(c1)Cl)/C=C/c2cc(cc(c2)O)O)(O)O ; OB(O)c1ccc(C=Cc2cc(O)cc(O)c2)c(Cl)c1; B(c1ccc(c(c1)Cl)C=Cc2cc(cc(c2)O)O)(O)O; c1(B(O)O)cc(c(cc1)[C@H]=[C@H]c2cc(cc(c2) O)O)Cl |
{3-chloro-4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid |
| 9713 |  7VH CHEMBL5176897 |
1 | C31 H37 Cl2 N7 O3 S | InChI=1S/C31H37Cl2N7O3S/c 1-4-44(41,42)40-20-23(22- 7-5-6-8-27(22)40)30-25(33 )19-34-31(36-30)35-26-17- 24(32)28(18-29(26)43-3)39 -11-9-21(10-12-39)38-15-1 3-37(2)14-16-38/h5-8,17-2 1H,4,9-16H2,1-3H3,(H,34,3 5,36); NEVDBLDTOAJSBN-UHFFFAOYSA-N |
CCS(=O)(=O)n1cc(c2c1cccc2)c3c(cnc(n3)Nc4 cc(c(cc4OC)N5CCC(CC5)N6CCN(CC6)C)Cl)Cl; CC[S](=O)(=O)n1cc(c2ccccc12)c3nc(Nc4cc(C l)c(cc4OC)N5CCC(CC5)N6CCN(C)CC6)ncc3Cl |
5-chloranyl-N-[5-chloranyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-amine |
| 9714 |  7VI |
2 | C26 H38 N4 O6 | InChI=1S/C26H38N4O6/c1-16 (2)22(30-26(35)36-15-18-6 -4-3-5-7-18)25(34)29-21(1 2-17-8-9-17)24(33)28-20(1 4-31)13-19-10-11-27-23(19 )32/h3-7,16-17,19-22,31H, 8-15H2,1-2H3,(H,27,32)(H, 28,33)(H,29,34)(H,30,35)/ t19-,20-,21-,22-/m0/s1; OBXMCOOSINYKTR-CMOCDZPBSA-N |
CC(C)C(C(=O)NC(CC1CC1)C(=O)NC(CC2CCNC2=O )CO)NC(=O)OCc3ccccc3; CC(C)[C@H](NC(=O)O Cc1ccccc1)C(=O)N[C@@H](CC2CC2)C(=O)N[C@H ](CO)C[C@@H]3CCNC3=O; CC(C)C(NC(=O)OCc1c cccc1)C(=O)NC(CC1CC1)C(=O)NC(CC1CCNC1=O) CO; CC(C)[C@@H](C(=O)N[C@@H](CC1CC1)C(=O )N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3cc ccc3; CC(C)[CH](NC(=O)OCc1ccccc1)C(=O)N[ CH](CC2CC2)C(=O)N[CH](CO)C[CH]3CCNC3=O |
N-[(benzyloxy)carbonyl]-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide |
| 9715 |  7VJ CHEMBL55866 ZINC000017001909 |
2 | C5 H7 N5 O2 | InChI=1S/C5H7N5O2/c1-7-3- 2(10-12)4(11)9-5(6)8-3/h1 H3,(H4,6,7,8,9,11); ISOZZGJCVBHMSM-UHFFFAOYSA-N |
CNC1=C(C(=O)NC(=N1)N)N=O; N(=O)C1=C(N=C( N)NC1=O)NC; CNC1=C(N=O)C(=O)NC(=N1)N |
2-amino-6-(methylamino)-5-nitrosopyrimidin-4(3H)-one; 6-METHYLAMINO-5-NITROSOISOCYTOSINE |
| 9716 |  7VK ZINC000001433762 |
4 | C28 H20 N2 O7 | InChI=1S/C28H20N2O7/c31-2 5(29-23-7-3-1-5-21(23)27( 33)34)17-9-13-19(14-10-17 )37-20-15-11-18(12-16-20) 26(32)30-24-8-4-2-6-22(24 )28(35)36/h1-16H,(H,29,31 )(H,30,32)(H,33,34)(H,35, 36); UIRNMCRFFYWCBB-UHFFFAOYSA-N |
c1ccc(c(c1)C(=O)O)NC(=O)c2ccc(cc2)Oc3ccc (cc3)C(=O)Nc4ccccc4C(=O)O; OC(=O)c1ccccc 1NC(=O)c2ccc(Oc3ccc(cc3)C(=O)Nc4ccccc4C( O)=O)cc2 |
2-[[4-[4-[(2-carboxyphenyl)carbamoyl]phenoxy]phenyl]carbonylamino]benzoic acid |
| 9717 |  7VL CHEMBL5413646 |
4 | C16 H12 Cl N O | InChI=1S/C16H12ClNO/c1-10 -8-11(2-5-16(10)19)13-6-7 -18-15-9-12(17)3-4-14(13) 15/h2-9,19H,1H3; VBXAMTUJCKJXCI-UHFFFAOYSA-N |
Cc1cc(ccc1O)c2ccnc3cc(Cl)ccc23; Cc1cc(cc c1O)c2ccnc3c2ccc(c3)Cl |
4-(7-chloranylquinolin-4-yl)-2-methyl-phenol |
| 9718 |  7VM CHEMBL4559961 ZINC000584905460 |
4 | C28 H34 N4 O2 | InChI=1S/C28H34N4O2/c1-29 -15-18-32-16-12-23(13-17- 32)27-19-22(11-14-30-27)2 1-31(2)28(33)24-7-6-10-26 (20-24)34-25-8-4-3-5-9-25 /h3-11,14,19-20,23,29H,12 -13,15-18,21H2,1-2H3; VUIITYLFSAXKIQ-UHFFFAOYSA-N |
CNCCN1CCC(CC1)c2cc(ccn2)CN(C)C(=O)c3cccc (c3)Oc4ccccc4; CNCCN1CCC(CC1)c2cc(CN(C)C (=O)c3cccc(Oc4ccccc4)c3)ccn2; C1CN(CCC1c 2nccc(c2)CN(C)C(c4cc(Oc3ccccc3)ccc4)=O)C CNC |
N-methyl-N-[(2-{1-[2-(methylamino)ethyl]piperidin-4-yl}pyridin-4-yl)methyl]-3-phenoxybenzamide |
| 9719 |  7VN |
0 | C8 H15 N O2 | InChI=1S/C8H15NO2/c1-9-7( 8(10)11)6-4-2-3-5-6/h6-7, 9H,2-5H2,1H3,(H,10,11)/t7 -/m0/s1; WPRPSYRCLINFTF-ZETCQYMHSA-N |
CNC(C1CCCC1)C(=O)O; CN[C@@H](C1CCCC1)C(O )=O; CN[C@@H](C1CCCC1)C(=O)O; CN[CH](C1C CCC1)C(O)=O |
(2S)-2-cyclopentyl-2-(methylamino)ethanoic acid |
| 9720 |  7VO |
12 | C14 H23 N2 O7 P | InChI=1S/C14H23N2O7P/c1-4 -8(2)12(14(18)19)16-6-11- 10(7-23-24(20,21)22)5-15- 9(3)13(11)17/h5,8,12,16-1 7H,4,6-7H2,1-3H3,(H,18,19 )(H2,20,21,22)/t8-,12-/m0 /s1; GZZDWFDWHXPWJK-UFBFGSQYSA-N |
CCC(C)C(C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O )O; CC[C@H](C)[C@H](NCc1c(O)c(C)ncc1CO[P ](O)(O)=O)C(O)=O; CC[C@H](C)[C@@H](C(=O) O)NCc1c(cnc(c1O)C)COP(=O)(O)O; CC[CH](C) [CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)= O |
(2S,3S)-3-methyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanoic acid |
| 9721 |  7VP ZINC000004705523 |
1 | C10 H10 N2 | InChI=1S/C10H10N2/c1-8-7- 11-10(12-8)9-5-3-2-4-6-9/ h2-7H,1H3,(H,11,12); TYOXIFXYEIILLY-UHFFFAOYSA-N |
Cc1c[nH]c(n1)c2ccccc2; Cc2cnc(c1ccccc1)n 2 |
4-methyl-2-phenyl-1H-imidazole |
| 9722 |  7VQ |
2 | C27 H36 N4 O7 | InChI=1S/C27H36N4O7/c1-17 (2)23(31-27(36)38-16-18-7 -4-3-5-8-18)26(35)30-22(1 4-21-9-6-12-37-21)25(34)2 9-20(15-32)13-19-10-11-28 -24(19)33/h3-9,12,17,19-2 0,22-23,32H,10-11,13-16H2 ,1-2H3,(H,28,33)(H,29,34) (H,30,35)(H,31,36)/t19-,2 0-,22-,23-/m0/s1; HGSMCFBUHVKHTG-SQOUVECCSA-N |
CC(C)C(C(=O)NC(Cc1ccco1)C(=O)NC(CC2CCNC2 =O)CO)NC(=O)OCc3ccccc3; CC(C)[CH](NC(=O) OCc1ccccc1)C(=O)N[CH](Cc2occc2)C(=O)N[CH ](CO)C[CH]3CCNC3=O; CC(C)[C@H](NC(=O)OCc 1ccccc1)C(=O)N[C@@H](Cc2occc2)C(=O)N[C@H ](CO)C[C@@H]3CCNC3=O; O=C1NCCC1CC(CO)NC( =O)C(NC(=O)C(NC(=O)OCc1ccccc1)C(C)C)Cc1c cco1; CC(C)[C@@H](C(=O)N[C@@H](Cc1ccco1) C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OC c3ccccc3 |
N-[(benzyloxy)carbonyl]-L-valyl-3-furan-2-yl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide |
| 9723 |  7VR CHEMBL365461 ZINC000028384742 |
1 | C22 H28 N4 O3 | InChI=1S/C22H28N4O3/c1-2- 29-24-18-19-6-8-21(9-7-19 )28-17-5-3-4-14-25-15-16- 26(22(25)27)20-10-12-23-1 3-11-20/h6-13,18H,2-5,14- 17H2,1H3/b24-18+; TVKWRLSBRIRPDH-HKOYGPOVSA-N |
CCO/N=C/c1ccc(cc1)OCCCCCN2CCN(C2=O)c3ccn cc3; CCO\N=C\c1ccc(OCCCCCN2CCN(C2=O)c3cc ncc3)cc1; CCON=Cc1ccc(OCCCCCN2CCN(C2=O)c 3ccncc3)cc1; O=C2N(c1ccncc1)CCN2CCCCCOc3 ccc(\C=N\OCC)cc3; CCON=Cc1ccc(cc1)OCCCCC N2CCN(C2=O)c3ccncc3 |
4-((5-(2-oxo-3-(pyridin-4-yl)imidazolidin-1-yl)pentyl)oxy)benzaldehyde O-ethyl oxime |
| 9724 |  7VS ZINC000002564381 |
1 | C9 H9 N3 | InChI=1S/C9H9N3/c10-12-9- 5-6-11-8-4-2-1-3-7(8)9/h1 -6H,10H2,(H,11,12); MYGFXCLXHGITIQ-UHFFFAOYSA-N |
c1ccc2c(c1)/C(=N/N)/C=CN2; NN=C1C=CNc2cc ccc12; N\N=C1\c2c(NC=C1)cccc2; N\N=C1/C= CNc2ccccc12; c1ccc2c(c1)C(=NN)C=CN2 |
(4E)-4-hydrazinylidene-1,4-dihydroquinoline |
| 9725 |  7VT CHEMBL4876289 |
1 | C17 H19 N3 O4 S | InChI=1S/C17H19N3O4S/c1-1 2-9-15(3-6-18-12)20-25(21 ,22)16-10-14(11-19-17(16) 23-2)13-4-7-24-8-5-13/h3- 4,6,9-11H,5,7-8H2,1-2H3,( H,18,20); MQQOMKBMLHBDFG-UHFFFAOYSA-N |
Cc1cc(ccn1)NS(=O)(=O)c2cc(cnc2OC)C3=CCOC C3; COc1ncc(cc1[S](=O)(=O)Nc2ccnc(C)c2)C 3=CCOCC3 |
5-[3,6-dihydro-2H-pyran-4-yl]-2-methoxy-N-[2-methylpyridin-4-yl]pyridine-3-sulfonamide; 5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-~{N}-(2-methylpyridin-4-yl)pyridine-3-sulfonamide |
| 9726 |  7VU |
0 | C12 H17 N O2 | InChI=1S/C12H17NO2/c1-3-1 3-11(12(14)15)8-10-6-4-9( 2)5-7-10/h4-7,11,13H,3,8H 2,1-2H3,(H,14,15)/t11-/m0 /s1; AWWFDZMDQNOGTL-NSHDSACASA-N |
CCN[CH](Cc1ccc(C)cc1)C(O)=O; CCNC(Cc1ccc (cc1)C)C(=O)O; CCN[C@@H](Cc1ccc(cc1)C)C( =O)O; CCN[C@@H](Cc1ccc(C)cc1)C(O)=O |
(2S)-2-(ethylamino)-3-(4-methylphenyl)propanoic acid |
| 9727 |  7VV ZINC000584905468 |
1 | C18 H24 F N3 O | InChI=1S/C18H24FN3O/c1-11 (2)17-16-7-4-12(10-22(16) 18(20)21-17)8-13-9-14(23- 3)5-6-15(13)19/h5-6,9,11- 12H,4,7-8,10H2,1-3H3,(H2, 20,21)/t12-/m0/s1; XJHGXEWMRNPZQE-LBPRGKRZSA-N |
COc1ccc(F)c(C[C@@H]2CCc3n(C2)c(N)nc3C(C) C)c1; CC(C)c1c2n(c(n1)N)CC(CC2)Cc3cc(ccc 3F)OC; c3c(cc(CC2CCc1c(C(C)C)nc(n1C2)N)c (c3)F)OC; CC(C)c1c2n(c(n1)N)C[C@@H](CC2) Cc3cc(ccc3F)OC; COc1ccc(F)c(C[CH]2CCc3n( C2)c(N)nc3C(C)C)c1 |
(6S)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine |
| 9728 |  7VW |
1 | C30 H48 N4 O7 | InChI=1S/C30H48N4O7/c1-19 (41-30(5,6)7)24(34-28(39) 40-18-20-11-9-8-10-12-20) 27(38)33-23(16-29(2,3)4)2 6(37)32-22(17-35)15-21-13 -14-31-25(21)36/h8-12,19, 21-24,35H,13-18H2,1-7H3,( H,31,36)(H,32,37)(H,33,38 )(H,34,39)/t19-,21+,22+,2 3+,24+/m1/s1; ZOTWBRVEQJNMNW-FFYZIMEISA-N |
C[C@H]([C@@H](C(=O)N[C@@H](CC(C)(C)C)C(= O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OCc2c cccc2)OC(C)(C)C; C[CH](OC(C)(C)C)[CH](NC (=O)OCc1ccccc1)C(=O)N[CH](CC(C)(C)C)C(=O )N[CH](CO)C[CH]2CCNC2=O; CC(C(C(=O)NC(CC (C)(C)C)C(=O)NC(CC1CCNC1=O)CO)NC(=O)OCc2 ccccc2)OC(C)(C)C; C[C@@H](OC(C)(C)C)[C@H ](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)(C) C)C(=O)N[C@H](CO)C[C@@H]2CCNC2=O; CC(C)( C)OC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)( C)C)C(=O)NC(CC1CCNC1=O)CO |
N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide |
| 9729 |  7VX |
2 | C29 H44 O3 | InChI=1S/C29H44O3/c1-18-1 9-9-12-28(6)23(26(19,4)11 -10-22(18)30)8-7-20-21-17 -25(2,3)13-15-29(21,24(31 )32)16-14-27(20,28)5/h7,1 8-19,21,23H,8-17H2,1-6H3, (H,31,32)/t18-,19+,21-,23 -,26-,27-,28+,29-/m1/s1; USBFNWRNJYBPQP-IQJSWQEESA-N |
C[CH]1[CH]2CC[C]3(C)[CH](CC=C4[CH]5CC(C) (C)CC[C]5(CC[C]34C)C(O)=O)[C]2(C)CCC1=O; CC1C2CCC3(C(C2(CCC1=O)C)CC=C4C3(CCC5(C4 CC(CC5)(C)C)C(=O)O)C)C; C[C@@H]1[C@@H]2C C[C@]3([C@@H]([C@@]2(CCC1=O)C)CC=C4[C@]3 (CC[C@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)C; C[C@@H]1[C@@H]2CC[C@@]3(C)[C@H](CC=C4[C@ H]5CC(C)(C)CC[C@]5(CC[C@@]34C)C(O)=O)[C@ ]2(C)CCC1=O |
(4aR,6aR,6aS,6bS,8aS,9R,12aR,14bR)-2,2,6a,6b,9,12a-hexamethyl-10-oxidanylidene-1,3,4,5,6,6a,7,8,8a,9,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| 9730 |  7VY ZINC000002555461 |
1 | C13 H19 N O | InChI=1S/C13H19NO/c1-15-1 3-6-2-4-11(9-13)8-12-5-3- 7-14-10-12/h2,4,6,9,12,14 H,3,5,7-8,10H2,1H3/t12-/m 1/s1; GQKSLDMVANTJRX-GFCCVEGCSA-N |
COc1cccc(C[C@H]2CCCNC2)c1; c1ccc(cc1OC)C C2CNCCC2; COc1cccc(C[CH]2CCCNC2)c1; COc1 cccc(c1)CC2CCCNC2; COc1cccc(c1)C[C@H]2CC CNC2 |
(3R)-3-[(3-methoxyphenyl)methyl]piperidine |
| 9731 |  7VZ |
10 | C14 H18 Cl N O4 S2 | InChI=1S/C14H18ClNO4S2/c1 -20-14(17)10-7-13(22(16,1 8)19)12(8-11(10)15)21-9-5 -3-2-4-6-9/h7-9H,2-6H2,1H 3,(H2,16,18,19); QYEZJVLETJURBN-UHFFFAOYSA-N |
COC(=O)c1cc(c(cc1Cl)SC2CCCCC2)S(=O)(=O)N ; COC(=O)c1cc(c(SC2CCCCC2)cc1Cl)[S](N)(= O)=O |
methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate |
| 9732 |  7W0 CHEMBL357979 ZINC000001543776 |
1 | C26 H22 N2 O5 | InChI=1S/C26H22N2O5/c1-16 -23(25(31)26(27)32)24-20( 12-7-13-21(24)33-15-22(29 )30)28(16)14-18-10-5-6-11 -19(18)17-8-3-2-4-9-17/h2 -13H,14-15H2,1H3,(H2,27,3 2)(H,29,30); KFJOAXDOAYZVOY-UHFFFAOYSA-N |
Cc1c(c2c(n1Cc3ccccc3c4ccccc4)cccc2OCC(=O )O)C(=O)C(=O)N; Cc1n(Cc2ccccc2c3ccccc3)c 4cccc(OCC(O)=O)c4c1C(=O)C(N)=O |
2-[2-methyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]indol-4-yl]oxyethanoic acid |
| 9733 |  7W1 CHEMBL4569418 ZINC000006557114 |
1 | C10 H10 N2 | InChI=1S/C10H10N2/c1-7-6- 12-9-5-3-2-4-8(9)10(7)11/ h2-6H,1H3,(H2,11,12); LHHFYJQGCWEYNA-UHFFFAOYSA-N |
c1(c(C)cnc2ccccc12)N; Cc1cnc2ccccc2c1N | 3-methylquinolin-4-amine |
| 9734 |  7W2 |
0 | C11 H10 F5 N O2 | InChI=1S/C11H10F5NO2/c12- 6-3-5(1-2-8(17)10(18)19)4 -7(13)9(6)11(14,15)16/h3- 4,8H,1-2,17H2,(H,18,19)/t 8-/m0/s1; IPKHUYODNKUTOQ-QMMMGPOBSA-N |
N[C@@H](CCc1cc(F)c(c(F)c1)C(F)(F)F)C(O)= O; c1c(cc(c(c1F)C(F)(F)F)F)CC[C@@H](C(=O )O)N; N[CH](CCc1cc(F)c(c(F)c1)C(F)(F)F)C (O)=O; c1c(cc(c(c1F)C(F)(F)F)F)CCC(C(=O) O)N |
(2S)-2-azanyl-4-[3,5-bis(fluoranyl)-4-(trifluoromethyl)phenyl]butanoic acid |
| 9735 |  7W3 |
2 | C21 H17 F3 N2 O5 | InChI=1S/C21H17F3N2O5/c1- 11-17(19(29)20(25)30)18-1 4(7-4-8-15(18)31-10-16(27 )28)26(11)9-12-5-2-3-6-13 (12)21(22,23)24/h2-8H,9-1 0H2,1H3,(H2,25,30)(H,27,2 8); AKFUWCKNXCSWDQ-UHFFFAOYSA-N |
Cc1c(c2c(n1Cc3ccccc3C(F)(F)F)cccc2OCC(=O )O)C(=O)C(=O)N; Cc1n(Cc2ccccc2C(F)(F)F)c 3cccc(OCC(O)=O)c3c1C(=O)C(N)=O |
2-[2-methyl-3-oxamoyl-1-[[2-(trifluoromethyl)phenyl]methyl]indol-4-yl]oxyethanoic acid |
| 9736 |  7W4 ZINC000020357620 |
1 | C8 H9 N3 | InChI=1S/C8H9N3/c1-6-8(9) 11-5-3-2-4-7(11)10-6/h2-5 H,9H2,1H3; KTIGGQXUSNNTRK-UHFFFAOYSA-N |
Cc1c(n2c(n1)cccc2)N; Cc1c(n2ccccc2n1)N; Cc1nc2ccccn2c1N |
2-methylimidazo[1,2-a]pyridin-3-amine |
| 9737 |  7W5 |
1 | C28 H44 N4 O6 | InChI=1S/C28H44N4O6/c1-27 (2,3)15-21(24(35)30-20(16 -33)14-19-12-13-29-23(19) 34)31-25(36)22(28(4,5)6)3 2-26(37)38-17-18-10-8-7-9 -11-18/h7-11,19-22,33H,12 -17H2,1-6H3,(H,29,34)(H,3 0,35)(H,31,36)(H,32,37)/t 19-,20-,21-,22+/m0/s1; BMXUTPCWTPHBMF-MYGLTJDJSA-N |
CC(C)(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1cc ccc1)C(C)(C)C)C(=O)N[C@H](CO)C[C@@H]2CCN C2=O; CC(C)(C)CC(C(=O)NC(CC1CCNC1=O)CO)N C(=O)C(C(C)(C)C)NC(=O)OCc2ccccc2; CC(C)( C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C O)NC(=O)[C@H](C(C)(C)C)NC(=O)OCc2ccccc2; CC(C)(C)C[CH](NC(=O)[CH](NC(=O)OCc1cccc c1)C(C)(C)C)C(=O)N[CH](CO)C[CH]2CCNC2=O; CC(C)(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC(C )(C)C)C(=O)NC(CC1CCNC1=O)CO |
N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide |
| 9738 |  7W6 |
1 | C20 H17 Br N2 O5 | InChI=1S/C20H17BrN2O5/c1- 11-17(19(26)20(22)27)18-1 4(6-3-7-15(18)28-10-16(24 )25)23(11)9-12-4-2-5-13(2 1)8-12/h2-8H,9-10H2,1H3,( H2,22,27)(H,24,25); ZWWWBZCFNLMLRT-UHFFFAOYSA-N |
Cc1c(c2c(n1Cc3cccc(c3)Br)cccc2OCC(=O)O)C (=O)C(=O)N; Cc1n(Cc2cccc(Br)c2)c3cccc(OC C(O)=O)c3c1C(=O)C(N)=O |
2-[1-[(3-bromophenyl)methyl]-2-methyl-3-oxamoyl-indol-4-yl]oxyethanoic acid |
| 9739 |  7W7 ZINC000584905400 |
2 | C14 H19 N3 O2 | InChI=1S/C14H19N3O2/c15-1 4(16)17-6-2-3-10(8-17)7-1 1-4-1-5-12-13(11)19-9-18- 12/h1,4-5,10H,2-3,6-9H2,( H3,15,16)/t10-/m1/s1; LRVQENWFPVOJJS-SNVBAGLBSA-N |
[H]/N=C(/N)\N1CCC[C@@H](C1)Cc2cccc3c2OCO 3; NC(=N)N1CCC[CH](C1)Cc2cccc3OCOc23; c1 cc(c2c(c1)OCO2)CC3CCCN(C3)C(=N)N; NC(=N) N1CCC[C@@H](C1)Cc2cccc3OCOc23; c2(CC1CN( CCC1)C(=N)\N)cccc3c2OCO3 |
(3R)-3-[(2H-1,3-benzodioxol-4-yl)methyl]piperidine-1-carboximidamide |
| 9740 |  7W8 CHEMBL5279025 |
1 | C18 H17 F N4 | InChI=1S/C18H17FN4/c1-23( 2)10-11-3-6-16(19)14(7-11 )12-4-5-13-15(9-20)18(21) 22-17(13)8-12/h3-8,22H,10 ,21H2,1-2H3; GRLWZOYXIMBFRU-UHFFFAOYSA-N |
CN(C)Cc1ccc(c(c1)c2ccc3c(c2)[nH]c(c3C#N) N)F; CN(C)Cc1ccc(F)c(c1)c2ccc3c([nH]c(N) c3C#N)c2 |
2-azanyl-6-[5-[(dimethylamino)methyl]-2-fluoranyl-phenyl]-1H-indole-3-carbonitrile; 2-Amino-6-[5-[(dimethylamino)methyl]-2-fluorophenyl]-1H-indole-3-carbonitrile |
| 9741 |  7W9 CHEMBL357804 ZINC000001543781 |
1 | C24 H20 N2 O5 | InChI=1S/C24H20N2O5/c1-14 -21(23(29)24(25)30)22-18( 10-5-11-19(22)31-13-20(27 )28)26(14)12-16-8-4-7-15- 6-2-3-9-17(15)16/h2-11H,1 2-13H2,1H3,(H2,25,30)(H,2 7,28); OCZWKLXXLNWSDH-UHFFFAOYSA-N |
Cc1c(c2c(n1Cc3cccc4c3cccc4)cccc2OCC(=O)O )C(=O)C(=O)N; Cc1n(Cc2cccc3ccccc23)c4ccc c(OCC(O)=O)c4c1C(=O)C(N)=O |
2-[2-methyl-1-(naphthalen-1-ylmethyl)-3-oxamoyl-indol-4-yl]oxyethanoic acid |
| 9742 |  7WA ZINC000000112552 |
2 | C7 H7 N3 | InChI=1S/C7H7N3/c8-5-2-1- 3-6-7(5)10-4-9-6/h1-4H,8H 2,(H,9,10); NZJKEQFPRPAEPO-UHFFFAOYSA-N |
Nc1cccc2[nH]cnc12; c21c(cccc1N)ncn2; c1c c(c2c(c1)[nH]cn2)N |
1H-benzimidazol-4-amine |
| 9743 |  7WB ZINC000584905391 |
24 | C11 H8 N2 S1 | InChI=1S/C11H8N2S/c1-2-4- 10-8(3-1)9(7-13-10)11-12- 5-6-14-11/h1-7,12H/b11-9+; IUBODNCSFJZWGR-PKNBQFBNSA-N |
c1ccc2c(c1)C(=C3NC=CS3)C=N2; N1C=CSC1=C2 C=Nc3ccccc23; c1ccc2c(c1)/C(=C/3\NC=CS3) /C=N2; N\1C=CSC\1=C/2C=Nc3ccccc/23 |
(2Z)-2-indol-3-ylidene-3H-1,3-thiazole; Camalexin |
| 9744 |  7WC |
0 | C7 H14 N2 O3 | InChI=1S/C7H14N2O3/c1-8-5 (4-6(10)11)7(12)9(2)3/h5, 8H,4H2,1-3H3,(H,10,11)/t5 -/m0/s1; WKRJPGKRIIJGQE-YFKPBYRVSA-N |
CNC(CC(=O)O)C(=O)N(C)C; CN[C@@H](CC(O)=O )C(=O)N(C)C; CN[CH](CC(O)=O)C(=O)N(C)C; CN[C@@H](CC(=O)O)C(=O)N(C)C |
(3S)-4-(dimethylamino)-3-(methylamino)-4-oxidanylidene-butanoic acid |
| 9745 |  7WD ZINC000584905374 |
2 | C15 H17 N3 O2 | InChI=1S/C15H17N3O2/c16-1 5-17-7-12-5-4-10(8-18(12) 15)6-11-2-1-3-13-14(11)20 -9-19-13/h1-3,7,10H,4-6,8 -9H2,(H2,16,17)/t10-/m0/s 1; GXMMFNNBTMLUSG-JTQLQIEISA-N |
Nc1ncc2CC[CH](Cn12)Cc3cccc4OCOc34; Nc1nc c2CC[C@H](Cn12)Cc3cccc4OCOc34; c1cc(c2c( c1)OCO2)CC3CCc4cnc(n4C3)N; c1cc(c2c(c1)O CO2)C[C@@H]3CCc4cnc(n4C3)N; c14OCOc1c(CC 3CCc2cnc(n2C3)N)ccc4 |
(6S)-6-[(2H-1,3-benzodioxol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine |
| 9746 |  7WE CHEMBL4870218 |
1 | C14 H17 Cl N4 O | InChI=1S/C14H17ClN4O/c1-1 8(2)9-10-4-6-11(7-5-10)17 -12-8-16-19(3)14(20)13(12 )15/h4-8,17H,9H2,1-3H3; NERLHNQOXJXDPS-UHFFFAOYSA-N |
CN1C(=O)C(=C(C=N1)Nc2ccc(cc2)CN(C)C)Cl; CN(C)Cc1ccc(NC2=C(Cl)C(=O)N(C)N=C2)cc1; CN1N=CC(Nc2ccc(CN(C)C)cc2)=C(Cl)C1=O |
4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one |
| 9747 |  7WF |
1 | C10 H22 N2 O8 S2 | InChI=1S/C10H22N2O8S2/c13 -9(7-21(15,16)17)5-11-1-2 -12(4-3-11)6-10(14)8-22(1 8,19)20/h9-10,13-14H,1-8H 2,(H,15,16,17)(H,18,19,20 )/t9-,10?/m1/s1; LVQFQZZGTZFUNF-YHMJZVADSA-N |
C1CN(CCN1CC(CS(=O)(=O)O)O)CC(CS(=O)(=O)O )O; C1CN(CCN1C[C@H](CS(=O)(=O)O)O)CC(CS( =O)(=O)O)O; O[CH](CN1CCN(CC1)CC(O)C[S](O )(=O)=O)C[S](O)(=O)=O; O[C@H](CN1CCN(CC1 )CC(O)C[S](O)(=O)=O)C[S](O)(=O)=O |
2-hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid; POPSO |
| 9748 |  7WG ZINC000042684308 |
1 | C6 H9 N3 | InChI=1S/C6H9N3/c7-6-8-3- 5(9-6)4-1-2-4/h3-4H,1-2H2 ,(H3,7,8,9); LHDVWRMWQJIACV-UHFFFAOYSA-N |
c1nc(nc1C2CC2)N; c1c([nH]c(n1)N)C2CC2; N c1[nH]c(cn1)C2CC2 |
5-cyclopropyl-1H-imidazol-2-amine |
| 9749 |  7WH CHEMBL3775380 ZINC000263620509 |
2 | C15 H14 N2 O5 | InChI=1S/C15H14N2O5/c1-22 -8-14(19)17-10-2-3-13(18) 11(7-10)12-6-9(15(20)21)4 -5-16-12/h2-7,18H,8H2,1H3 ,(H,17,19)(H,20,21); HHHINYOXTBYXCI-UHFFFAOYSA-N |
COCC(=O)Nc1ccc(c(c1)c2cc(ccn2)C(=O)O)O; COCC(=O)Nc1ccc(O)c(c1)c2cc(ccn2)C(O)=O |
2-[5-(2-methoxyethanoylamino)-2-oxidanyl-phenyl]pyridine-4-carboxylic acid |
| 9750 |  7WI ZINC000001603176 |
1 | C10 H13 Cl N2 O2 | InChI=1S/C10H13ClN2O2/c1- 15-6-5-12-10(14)13-9-4-2- 3-8(11)7-9/h2-4,7H,5-6H2, 1H3,(H2,12,13,14); OCWOGWHGSTYVMJ-UHFFFAOYSA-N |
Clc1cc(NC(=O)NCCOC)ccc1; COCCNC(=O)Nc1cc cc(Cl)c1; COCCNC(=O)Nc1cccc(c1)Cl |
1-(3-chlorophenyl)-3-(2-methoxyethyl)urea |
| 9751 |  7WJ ZINC000584905479 |
0 | C20 H19 N5 O3 | InChI=1S/C20H19N5O3/c21-1 4(20(27)28)7-10-24-19(26) 13-11-17(15-5-1-3-8-22-15 )25-18(12-13)16-6-2-4-9-2 3-16/h1-6,8-9,11-12,14H,7 ,10,21H2,(H,24,26)(H,27,2 8)/t14-/m0/s1; ZWXHAHZUODFFJB-AWEZNQCLSA-N |
N[C@@H](CCNC(=O)c1cc(nc(c1)c2ccccn2)c3cc ccn3)C(O)=O; N[CH](CCNC(=O)c1cc(nc(c1)c2 ccccn2)c3ccccn3)C(O)=O; C(=O)(O)C(CCNC(c 2cc(c1ncccc1)nc(c2)c3ccccn3)=O)N; c1ccnc (c1)c2cc(cc(n2)c3ccccn3)C(=O)NCC[C@@H](C (=O)O)N; c1ccnc(c1)c2cc(cc(n2)c3ccccn3)C (=O)NCCC(C(=O)O)N |
(2S)-2-amino-4-[([1~2~,2~2~:2~6~,3~2~-terpyridine]-2~4~-carbonyl)amino]butanoic acid |
| 9752 |  7WK CHEMBL1370598 ZINC000000035532 |
4 | C16 H21 N O5 | InChI=1S/C16H21NO5/c1-16( 2,20)13(18)9-22-11-7-5-6- 10-12(21-4)8-14(19)17(3)1 5(10)11/h5-8,13,18,20H,9H 2,1-4H3/t13-/m1/s1; IUPYLWAXGAJZQC-CYBMUJFWSA-N |
CC(C)([C@@H](COc1cccc2c1N(C(=O)C=C2OC)C) O)O; COC1=CC(=O)N(C)c2c(OC[C@@H](O)C(C)( C)O)cccc12; COC1=CC(=O)N(C)c2c(OC[CH](O) C(C)(C)O)cccc12; CC(C)(C(COc1cccc2c1N(C( =O)C=C2OC)C)O)O |
foliosidine ; 4-methoxy-1-methyl-8-[(2~{R})-3-methyl-2,3-bis(oxidanyl)butoxy]quinolin-2-one |
| 9753 |  7WL |
1 | C21 H18 F3 N O4 S3 | InChI=1S/C21H18F3NO4S3/c1 -2-29-17-9-8-15(21(22,23) 24)12-14(17)13-31-18-10-1 1-30-19(18)20(26)25-32(27 ,28)16-6-4-3-5-7-16/h3-12 H,2,13H2,1H3,(H,25,26); AKXBLDKCMACKRY-UHFFFAOYSA-N |
CCOc1ccc(cc1CSc2ccsc2C(=O)NS(=O)(=O)c3cc ccc3)C(F)(F)F; CCOc1ccc(cc1CSc2ccsc2C(=O )N[S](=O)(=O)c3ccccc3)C(F)(F)F |
3-{[2-Ethoxy-5-(trifluoromethyl)benzyl]sulfanyl}-N-(phenylsulfonyl)thiophene-2-carboxamide |
| 9754 |  7WN CHEMBL4848082 |
1 | C14 H15 Cl N4 O | InChI=1S/C14H15ClN4O/c1-1 9-14(20)13(15)12(8-17-19) 18-11-3-2-9-4-5-16-7-10(9 )6-11/h2-3,6,8,16,18H,4-5 ,7H2,1H3; VZQFJJGIJFKMFN-UHFFFAOYSA-N |
CN1N=CC(Nc2cc3CNCCc3cc2)=C(Cl)C1=O; CN1C (=O)C(=C(C=N1)Nc2ccc3c(c2)CNCC3)Cl; CN1N =CC(=C(Cl)C1=O)Nc2ccc3CCNCc3c2 |
4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one |
| 9755 |  7WO CHEMBL3265255 ZINC000000157162 |
3 | C11 H8 O2 | InChI=1S/C11H8O2/c12-7-10 -9-4-2-1-3-8(9)5-6-11(10) 13/h1-7,13H; NTCCNERMXRIPTR-UHFFFAOYSA-N |
c1ccc2c(c1)ccc(c2C=O)O; c2ccc1c(C=O)c(cc c1c2)O; Oc1ccc2ccccc2c1C=O |
2-hydroxynaphthalene-1-carbaldehyde |
| 9756 |  7WP |
2 | C7 H6 N6 O | InChI=1S/C7H6N6O/c8-5-4-6 (13-7(9)12-5)10-1-3(2-14) 11-4/h1-2H,(H4,8,9,10,12, 13); QBSIXCBKOMWSBZ-UHFFFAOYSA-N |
Nc1nc(N)c2nc(C=O)cnc2n1; c12nc(C=O)cnc1n c(N)nc2N; c1c(nc2c(nc(nc2n1)N)N)C=O |
2,4-diaminopteridine-6-carbaldehyde |
| 9757 |  7WQ CHEMBL3660371 ZINC000001656240 |
2 | C8 H8 O3 | InChI=1S/C8H8O3/c1-11-7-2 -3-8(10)6(4-7)5-9/h2-5,10 H,1H3; FZHSPPYCNDYIKD-UHFFFAOYSA-N |
COc1ccc(O)c(C=O)c1; COc1cc(c(cc1)O)C=O; COc1ccc(c(c1)C=O)O |
2-hydroxy-5-methoxybenzaldehyde |
| 9758 |  7WR CHEMBL5283256 ZINC000000895819 |
3 | C8 H8 O5 | InChI=1S/C8H8O5/c1-13-6-3 -4(8(11)12)2-5(9)7(6)10/h 2-3,9-10H,1H3,(H,11,12); KWCCUYSXAYTNKA-UHFFFAOYSA-N |
COc1cc(cc(c1O)O)C(=O)O; COc1cc(cc(O)c1O) C(O)=O |
3-methoxy-4,5-bis(oxidanyl)benzoic acid |
| 9759 |  7WT CHEMBL1050 DB19360 ZINC000013589951 |
3 | C23 H34 O5 | InChI=1S/C23H34O5/c24-18( 13-12-17-8-4-3-5-9-17)14- 15-20-19(21(25)16-22(20)2 6)10-6-1-2-7-11-23(27)28/ h1,3-6,8-9,18-22,24-26H,2 ,7,10-16H2,(H,27,28)/b6-1 -/t18-,19+,20+,21-,22+/m0 /s1; HNPFPERDNWXAGS-NFVOFSAMSA-N |
O[CH](CC[CH]1[CH](O)C[CH](O)[CH]1CC=CCCC C(O)=O)CCc2ccccc2; O[C@H](CC[C@H]1[C@H]( O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O)CCc2cc ccc2; c1ccc(cc1)CC[C@@H](CC[C@H]2[C@@H]( C[C@@H]([C@@H]2C/C=C\CCCC(=O)O)O)O)O; c1 ccc(cc1)CCC(CCC2C(CC(C2CC=CCCCC(=O)O)O)O )O |
Z-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(3R)-3-oxidanyl-5-phenyl-pentyl]cyclopentyl]hept-5-enoic acid; 7-[3,5-Dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enoic acid |
| 9760 |  7WU |
4 | C26 H34 O8 | InChI=1S/C26H34O8/c1-12-1 1-13-23(4)10-9-14(27)22(2 ,3)16(23)15(28)18(29)25(1 3,6)17-19(30)34-26(7,21(3 2)33-8)20(31)24(12,17)5/h 11,13,16-18,29H,9-10H2,1- 8H3/t13-,16+,17-,18+,23-, 24+,25-,26-/m0/s1; MLBMGTVSKMSTNI-MVORVNTJSA-N |
CC1=CC2C3(CCC(=O)C(C3C(=O)C(C2(C4C1(C(=O )C(OC4=O)(C)C(=O)OC)C)C)O)(C)C)C; CC1=C[ C@H]2[C@@]3(CCC(=O)C([C@H]3C(=O)[C@H]([C @@]2([C@@H]4[C@@]1(C(=O)[C@@](OC4=O)(C)C (=O)OC)C)C)O)(C)C)C; COC(=O)[C]1(C)OC(=O )[CH]2[C]3(C)[CH](O)C(=O)[CH]4C(C)(C)C(= O)CC[C]4(C)[CH]3C=C(C)[C]2(C)C1=O; COC(= O)[C@@]1(C)OC(=O)[C@@H]2[C@@]3(C)[C@H](O )C(=O)[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@@ H]3C=C(C)[C@@]2(C)C1=O |
methyl (2S,4aR,4bS,5S,6aS,10aS,10bS,12aS)-2,4b,7,7,10a,12,12a-heptamethyl-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene)-4a,5,6a,9,10,10b-hexahydronaphtho[1,2-h]isochromene-2-carboxylate |
| 9761 |  7WV CHEMBL115950 ZINC000000164706 |
6 | C7 H5 Br O2 | InChI=1S/C7H5BrO2/c8-6-4- 2-1-3-5(6)7(9)10/h1-4H,(H ,9,10); XRXMNWGCKISMOH-UHFFFAOYSA-N |
OC(=O)c1ccccc1Br; c1ccc(c(c1)C(=O)O)Br; c1ccc(c(c1)C(O)=O)Br |
2-bromobenzoic acid |
| 9762 |  7WW |
1 | C21 H20 Cl N3 O3 | InChI=1S/C21H20ClN3O3/c1- 28-16-8-6-14(7-9-16)25-20 (17-4-2-3-5-18(17)22)12-1 9(23-25)21(27)24-11-10-15 (26)13-24/h2-9,12,15,26H, 10-11,13H2,1H3/t15-/m1/s1; FNYOTLRUGRQFLT-OAHLLOKOSA-N |
COc1ccc(cc1)n2c(cc(n2)C(=O)N3CC[C@H](C3) O)c4ccccc4Cl; COc1ccc(cc1)n2nc(cc2c3cccc c3Cl)C(=O)N4CC[CH](O)C4; COc1ccc(cc1)n2n c(cc2c3ccccc3Cl)C(=O)N4CC[C@@H](O)C4; CO c1ccc(cc1)n2c(cc(n2)C(=O)N3CCC(C3)O)c4cc ccc4Cl |
[5-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-[(3R)-3-oxidanylpyrrolidin-1-yl]methanone |
| 9763 |  7WX |
2 | C26 H34 O8 | InChI=1S/C26H34O8/c1-12-1 1-13-22(4)10-9-14(27)21(2 ,3)16(22)15(28)17(29)24(1 3,6)26(20(32)34-8)19(31)2 5(7,33)18(30)23(12,26)5/h 11,13,16-17,29,33H,9-10H2 ,1-8H3/t13-,16+,17+,22-,2 3-,24+,25-,26-/m0/s1; FVEJPVCDDWKJQD-ZNSZEARDSA-N |
CC1=C[C@H]2[C@@]3(CCC(=O)C([C@H]3C(=O)[C @H]([C@@]2([C@]4([C@@]1(C(=O)[C@](C4=O)( C)O)C)C(=O)OC)C)O)(C)C)C; CC1=CC2C3(CCC( =O)C(C3C(=O)C(C2(C4(C1(C(=O)C(C4=O)(C)O) C)C(=O)OC)C)O)(C)C)C; COC(=O)[C]12C(=O)[ C](C)(O)C(=O)[C]1(C)C(=C[CH]3[C]4(C)CCC( =O)C(C)(C)[CH]4C(=O)[CH](O)[C]23C)C; COC (=O)[C@@]12C(=O)[C@@](C)(O)C(=O)[C@]1(C) C(=C[C@H]3[C@]4(C)CCC(=O)C(C)(C)[C@H]4C( =O)[C@@H](O)[C@]23C)C |
methyl (5S,7S,8S,9S,10S,13R,14R,16S)-4,4,8,10,12,13,16-heptamethyl-7,16-bis(oxidanyl)-3,6,15,17-tetrakis(oxidanylidene)-2,5,7,9-tetrahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate |
| 9764 |  7WY CHEMBL4168815 |
1 | C22 H19 Cl N6 | InChI=1S/C22H19ClN6/c1-14 -22-19-8-2-15(16-3-9-21(2 4)25-13-16)12-20(19)28(10 -11-29(22)27-26-14)18-6-4 -17(23)5-7-18/h2-9,12-13H ,10-11H2,1H3,(H2,24,25); PUTQASIWNBKTDJ-UHFFFAOYSA-N |
Cc1c-2n(nn1)CCN(c3c2ccc(c3)c4ccc(nc4)N)c 5ccc(cc5)Cl; Cc1nnn2CCN(c3ccc(Cl)cc3)c4c c(ccc4c12)c5ccc(N)nc5; c42c(c1c(C)nnn1CC N2c3ccc(cc3)Cl)ccc(c4)c5ccc(nc5)N |
5-[7-(4-chlorophenyl)-1-methyl-6,7-dihydro-5H-[1,2,3]triazolo[1,5-d][1,4]benzodiazepin-9-yl]pyridin-2-amine |
| 9765 |  7WZ CHEMBL4866748 |
1 | C12 H13 Cl N4 O | InChI=1S/C12H13ClN4O/c1-1 7-12(18)11(13)10(7-15-17) 16-9-4-2-8(6-14)3-5-9/h2- 5,7,16H,6,14H2,1H3; QKQSWFRGHKVLDP-UHFFFAOYSA-N |
CN1N=CC(=C(Cl)C1=O)Nc2ccc(CN)cc2; CN1C(= O)C(=C(C=N1)Nc2ccc(cc2)CN)Cl; CN1N=CC(Nc 2ccc(CN)cc2)=C(Cl)C1=O |
5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one |
| 9766 |  7X0 |
6 | C26 H36 O9 | InChI=1S/C26H36O9/c1-12-1 1-13-23(4)10-9-14(27)22(2 ,3)16(23)15(28)18(29)25(1 3,6)17(19(30)31)24(12,5)2 0(32)26(7,34)21(33)35-8/h 11,13,16-18,29,34H,9-10H2 ,1-8H3,(H,30,31)/t13-,16+ ,17-,18+,23-,24+,25-,26-/ m0/s1; LIOASRYHIAHNQJ-MVORVNTJSA-N |
COC(=O)[C@@](C)(O)C(=O)[C@@]1(C)[C@H](C( O)=O)[C@@]2(C)[C@H](O)C(=O)[C@@H]3C(C)(C )C(=O)CC[C@@]3(C)[C@@H]2C=C1C; COC(=O)[C ](C)(O)C(=O)[C]1(C)[CH](C(O)=O)[C]2(C)[C H](O)C(=O)[CH]3C(C)(C)C(=O)CC[C]3(C)[CH] 2C=C1C; CC1=CC2C3(CCC(=O)C(C3C(=O)C(C2(C (C1(C)C(=O)C(C)(C(=O)OC)O)C(=O)O)C)O)(C) C)C; CC1=C[C@H]2[C@@]3(CCC(=O)C([C@H]3C( =O)[C@H]([C@@]2([C@H]([C@]1(C)C(=O)[C@@] (C)(C(=O)OC)O)C(=O)O)C)O)(C)C)C |
|
| 9767 |  7X1 CHEMBL169186 DB07249 ZINC000003938356 |
1 | C24 H27 Cl N4 O4 | InChI=1S/C24H27ClN4O4/c1- 30-20-12-16-18(13-21(20)3 1-11-5-10-29-8-3-2-4-9-29 )26-14-27-24(16)28-22-17( 25)6-7-19-23(22)33-15-32- 19/h6-7,12-14H,2-5,8-11,1 5H2,1H3,(H,26,27,28); QHIMVPIOWKYPSO-UHFFFAOYSA-N |
COc1cc2c(cc1OCCCN3CCCCC3)ncnc2Nc4c(ccc5c 4OCO5)Cl; Clc1ccc5OCOc5c1Nc4ncnc3c4cc(OC )c(OCCCN2CCCCC2)c3; COc1cc2c(Nc3c(Cl)ccc 4OCOc34)ncnc2cc1OCCCN5CCCCC5 |
N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine |
| 9768 |  7X2 CHEMBL256725 DB07250 ZINC000016052641 |
1 | C20 H19 Cl N4 O5 | InChI=1S/C20H19ClN4O5/c1- 26-14-8-11(9-15(27-2)18(1 4)28-3)23-20-22-7-6-16(25 -20)24-17-12(21)4-5-13-19 (17)30-10-29-13/h4-9H,10H 2,1-3H3,(H2,22,23,24,25); HMKLUOPMOJOUDZ-UHFFFAOYSA-N |
COc1cc(cc(c1OC)OC)Nc2nccc(n2)Nc3c(ccc4c3 OCO4)Cl; Clc1ccc4OCOc4c1Nc2nc(ncc2)Nc3cc (OC)c(OC)c(OC)c3; COc1cc(Nc2nccc(Nc3c(Cl )ccc4OCOc34)n2)cc(OC)c1OC |
N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3,4,5- TRIMETHOXYPHENYL)PYRIMIDINE-2,4-DIAMINE |
| 9769 |  7X3 CHEMBL403673 DB07251 ZINC000016052640 |
1 | C19 H20 Cl N5 O4 | InChI=1S/C19H20ClN5O4/c1- 26-14-6-5-11(7-13(14)20)2 3-18-21-10-22-19(25-18)24 -12-8-15(27-2)17(29-4)16( 9-12)28-3/h5-10H,1-4H3,(H 2,21,22,23,24,25); ZVWFECUPYCFYBL-UHFFFAOYSA-N |
Clc3cc(Nc1ncnc(n1)Nc2cc(OC)c(OC)c(OC)c2) ccc3OC; COc1ccc(cc1Cl)Nc2ncnc(n2)Nc3cc(c (c(c3)OC)OC)OC; COc1ccc(Nc2ncnc(Nc3cc(OC )c(OC)c(OC)c3)n2)cc1Cl |
N'-(3-CHLORO-4-METHOXY-PHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE |
| 9770 |  7X4 CHEMBL257553 DB07252 ZINC000029043180 |
1 | C17 H14 Cl N5 O4 S | InChI=1S/C17H14ClN5O4S/c1 8-12-4-5-13-16(27-9-26-13 )15(12)22-14-6-7-20-17(23 -14)21-10-2-1-3-11(8-10)2 8(19,24)25/h1-8H,9H2,(H2, 19,24,25)(H2,20,21,22,23); TZHCXOMEOHEZDX-UHFFFAOYSA-N |
O=S(=O)(N)c1cccc(c1)Nc2nccc(n2)Nc3c(Cl)c cc4OCOc34; c1cc(cc(c1)S(=O)(=O)N)Nc2nccc (n2)Nc3c(ccc4c3OCO4)Cl; N[S](=O)(=O)c1cc cc(Nc2nccc(Nc3c(Cl)ccc4OCOc34)n2)c1 |
3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide |
| 9771 |  7X5 CHEMBL445162 DB07253 ZINC000029043084 |
1 | C18 H15 Cl N4 O4 S | InChI=1S/C18H15ClN4O4S/c1 -28(24,25)12-4-2-3-11(9-1 2)21-18-20-8-7-15(23-18)2 2-16-13(19)5-6-14-17(16)2 7-10-26-14/h2-9H,10H2,1H3 ,(H2,20,21,22,23); QTFCKBFCXDAZIU-UHFFFAOYSA-N |
O=S(=O)(c1cccc(c1)Nc2nccc(n2)Nc3c(Cl)ccc 4OCOc34)C; CS(=O)(=O)c1cccc(c1)Nc2nccc(n 2)Nc3c(ccc4c3OCO4)Cl; C[S](=O)(=O)c1cccc (Nc2nccc(Nc3c(Cl)ccc4OCOc34)n2)c1 |
N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine |
| 9772 |  7X6 CHEMBL496574 DB07254 ZINC000034285198 |
1 | C18 H16 Cl N5 O4 S | InChI=1S/C18H16ClN5O4S/c1 -29(25,26)24-12-4-2-3-11( 9-12)21-18-20-8-7-15(23-1 8)22-16-13(19)5-6-14-17(1 6)28-10-27-14/h2-9,24H,10 H2,1H3,(H2,20,21,22,23); KQGTYXRWSIBDOZ-UHFFFAOYSA-N |
CS(=O)(=O)Nc1cccc(c1)Nc2nccc(n2)Nc3c(ccc 4c3OCO4)Cl; C[S](=O)(=O)Nc1cccc(Nc2nccc( Nc3c(Cl)ccc4OCOc34)n2)c1; O=S(=O)(Nc1ccc c(c1)Nc2nccc(n2)Nc3c(Cl)ccc4OCOc34)C |
N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE |
| 9773 |  7X7 CHEMBL255874 DB07255 ZINC000029042996 |
1 | C21 H20 Cl N5 O3 | InChI=1S/C21H20ClN5O3/c22 -16-4-5-17-20(30-13-29-17 )19(16)25-18-6-7-23-21(26 -18)24-14-2-1-3-15(12-14) 27-8-10-28-11-9-27/h1-7,1 2H,8-11,13H2,(H2,23,24,25 ,26); PNEWIQAEGKQNCE-UHFFFAOYSA-N |
c1cc(cc(c1)N2CCOCC2)Nc3nccc(n3)Nc4c(ccc5 c4OCO5)Cl; Clc2ccc1OCOc1c2Nc3nc(ncc3)Nc5 cc(N4CCOCC4)ccc5; Clc1ccc2OCOc2c1Nc3ccnc (Nc4cccc(c4)N5CCOCC5)n3 |
N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE |
| 9774 |  7X8 CHEMBL500724 DB07256 ZINC000034285196 |
1 | C18 H14 Cl N5 O3 | InChI=1S/C18H14ClN5O3/c19 -12-4-5-13-16(27-9-26-13) 15(12)23-14-6-7-21-18(24- 14)22-11-3-1-2-10(8-11)17 (20)25/h1-8H,9H2,(H2,20,2 5)(H2,21,22,23,24); ZVQZIVCQLFGXFZ-UHFFFAOYSA-N |
c1cc(cc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl )C(=O)N; O=C(N)c1cc(ccc1)Nc2nccc(n2)Nc3c (Cl)ccc4OCOc34; NC(=O)c1cccc(Nc2nccc(Nc3 c(Cl)ccc4OCOc34)n2)c1 |
3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE |
| 9775 |  7X9 CHEMBL1572972 ZINC000000156820 |
6 | C14 H12 F N O3 | InChI=1S/C14H12FNO3/c1-7- 2-3-8-4-9(15)5-10-12(8)16 (7)6-11(13(10)17)14(18)19 /h4-7H,2-3H2,1H3,(H,18,19 )/t7-/m1/s1; DPSPPJIUMHPXMA-SSDOTTSWSA-N |
C[C@@H]1CCc2cc(cc3c2N1C=C(C3=O)C(=O)O)F; C[C@@H]1CCc2cc(F)cc3C(=O)C(=CN1c23)C(O) =O; CC1CCc2cc(cc3c2N1C=C(C3=O)C(=O)O)F; C[CH]1CCc2cc(F)cc3C(=O)C(=CN1c23)C(O)=O |
(12~{R})-7-fluoranyl-12-methyl-4-oxidanylidene-1-azatricyclo[7.3.1.0^{5,13}]trideca-2,5(13),6,8-tetraene-3-carboxylic acid |
| 9776 |  7XA |
2 | C7 H16 N2 O2 | InChI=1S/C7H16N2O2/c8-6-4 -2-1-3-5-7(10)9-11/h11H,1 -6,8H2,(H,9,10); ZNRIHNWROBMJQJ-UHFFFAOYSA-N |
ONC(CCCCCCN)=O; C(CCCN)CCC(=O)NO; NCCCCC CC(=O)NO |
7-amino-N-hydroxyheptanamide |
| 9777 |  7XB CHEMBL5200025 |
2 | C21 H18 F5 N5 O4 | InChI=1S/C21H18F5N5O4/c1- 10-5-12(35-18(25)26)3-4-1 5(10)28-19-29-20(33)31(9- 16(32)27-2)21(34)30(19)8- 11-6-13(22)17(24)14(23)7- 11/h3-7,18H,8-9H2,1-2H3,( H,27,32)(H,28,29,33); JHDIUUFGPILEJO-UHFFFAOYSA-N |
CNC(=O)CN1C(=O)N=C(Nc2ccc(OC(F)F)cc2C)N( Cc3cc(F)c(F)c(F)c3)C1=O; Cc1cc(ccc1NC2=N C(=O)N(C(=O)N2Cc3cc(c(c(c3)F)F)F)CC(=O)N C)OC(F)F |
2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-N-methyl-ethanamide |
| 9778 |  7XC ZINC000006512393 |
0 | C10 H14 N4 O2 | InChI=1S/C10H14N4O2/c11-8 (9(15)16)5-6-1-3-7(4-2-6) 14-10(12)13/h1-4,8H,5,11H 2,(H,15,16)(H4,12,13,14)/ t8-/m1/s1; FYMNTAQFDTZISY-MRVPVSSYSA-N |
N[C@H](Cc1ccc(NC(N)=N)cc1)C(O)=O; [H]/N= C(\N)/Nc1ccc(cc1)C[C@H](C(=O)O)N; c1cc(c cc1CC(C(=O)O)N)NC(=N)N; N[CH](Cc1ccc(NC( N)=N)cc1)C(O)=O |
(2R)-2-azanyl-3-(4-carbamimidamidophenyl)propanoic acid |
| 9779 |  7XD ZINC000014956607 |
1 | C27 H22 N4 O2 | InChI=1S/C27H22N4O2/c32-2 6-22(10-5-11-23(26)25-15- 20-17-28-13-12-24(20)31-2 5)19-7-4-6-18(14-19)16-29 -27(33)30-21-8-2-1-3-9-21 /h1-15,17,31-32H,16H2,(H2 ,29,30,33); MYWMHTLQFNYXPC-UHFFFAOYSA-N |
c1ccc(cc1)NC(=O)NCc2cccc(c2)c3cccc(c3O)c 4cc5cnccc5[nH]4; Oc1c(cccc1c2cccc(CNC(=O )Nc3ccccc3)c2)c4[nH]c5ccncc5c4 |
1-[[3-[2-oxidanyl-3-(1~{H}-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-3-phenyl-urea |
| 9780 |  7XE CHEMBL4850516 |
1 | C14 H15 Cl N4 O | InChI=1S/C14H15ClN4O/c1-1 9-14(20)13(15)12(8-17-19) 18-11-3-2-10-7-16-5-4-9(1 0)6-11/h2-3,6,8,16,18H,4- 5,7H2,1H3; QFMNJCUEVHZUMC-UHFFFAOYSA-N |
CN1N=CC(=C(Cl)C1=O)Nc2ccc3CNCCc3c2; CN1C (=O)C(=C(C=N1)Nc2ccc3c(c2)CCNC3)Cl; CN1N =CC(Nc2cc3CCNCc3cc2)=C(Cl)C1=O |
4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one |
| 9781 |  7XF |
6 | C12 H19 N2 O7 P S | InChI=1S/C12H19N2O7PS/c1- 7-11(15)9(5-14-10(2-3-23) 12(16)17)8(4-13-7)6-21-22 (18,19)20/h4,10,14-15,23H ,2-3,5-6H2,1H3,(H,16,17)( H2,18,19,20)/t10-/m0/s1; PXCMMZUTCUCUSM-JTQLQIEISA-N |
Cc1ncc(CO[P](O)(O)=O)c(CN[C@@H](CCS)C(O) =O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H ](CCS)C(=O)O)O; Cc1c(c(c(cn1)COP(=O)(O)O )CNC(CCS)C(=O)O)O; Cc1ncc(CO[P](O)(O)=O) c(CN[CH](CCS)C(O)=O)c1O |
(2~{S})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-sulfanyl-butanoic acid |
| 9782 |  7XG CHEMBL4068192 |
1 | C25 H30 F N5 O | InChI=1S/C25H30FN5O/c1-17 -5-4-6-23(26)21(17)13-30- 14-22(24(15-30)29(2)3)19- 9-7-18(8-10-19)20-11-28-3 1(12-20)16-25(27)32/h4-12 ,22,24H,13-16H2,1-3H3,(H2 ,27,32)/t22-,24+/m1/s1; BHCIUNLNTMWBGM-VWNXMTODSA-N |
Cc1cccc(c1CN2CC(C(C2)N(C)C)c3ccc(cc3)c4c nn(c4)CC(=O)N)F; Cc1cccc(c1CN2C[C@@H]([C @H](C2)N(C)C)c3ccc(cc3)c4cnn(c4)CC(=O)N) F; CN(C)[C@H]1CN(C[C@@H]1c2ccc(cc2)c3cnn (CC(N)=O)c3)Cc4c(C)cccc4F; c4cc(C)c(CN3C C(c1ccc(cc1)c2cnn(c2)CC(N)=O)C(C3)N(C)C) c(c4)F; CN(C)[CH]1CN(C[CH]1c2ccc(cc2)c3c nn(CC(N)=O)c3)Cc4c(C)cccc4F |
2-[4-(4-{(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl}phenyl)-1H-pyrazol-1-yl]acetamide |
| 9783 |  7XH CHEMBL4167702 |
1 | C29 H37 F N6 O4 S | InChI=1S/C29H37FN6O4S/c1- 21(2)35-10-8-34(9-11-35)2 0-22-4-5-25(26(30)16-22)2 7-17-23(6-7-31-27)33-41(3 7,38)28-18-24(19-32-29(28 )39-3)36-12-14-40-15-13-3 6/h4-7,16-19,21H,8-15,20H 2,1-3H3,(H,31,33); ODQVPYNCHSLNGV-UHFFFAOYSA-N |
COc1ncc(cc1[S](=O)(=O)Nc2ccnc(c2)c3ccc(C N4CCN(CC4)C(C)C)cc3F)N5CCOCC5; CC(C)N1CC N(CC1)Cc2ccc(c(c2)F)c3cc(ccn3)NS(=O)(=O) c4cc(cnc4OC)N5CCOCC5 |
~{N}-[2-[2-fluoranyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyridin-4-yl]-2-methoxy-5-morpholin-4-yl-pyridine-3-sulfonamide |
| 9784 |  7XI |
1 | C14 H12 Cl F2 N5 O | InChI=1S/C14H12ClF2N5O/c1 5-14-20-12(18)11-13(21-14 )22(7-19-11)5-8-2-1-3-9(4 -8)23-6-10(16)17/h1-4,7,1 0H,5-6H2,(H2,18,20,21); SGWRECBGDPUACK-UHFFFAOYSA-N |
Nc1nc(Cl)nc2n(Cc3cccc(OCC(F)F)c3)cnc12; c1cc(cc(c1)OCC(F)F)Cn2cnc3c2nc(nc3N)Cl |
2-chloro-9-(3-(2,2-difluoroethoxy)benzyl)-9H-purin-6-amine |
| 9785 |  7XJ |
1 | C17 H16 N4 O | InChI=1S/C17H16N4O/c18-16 -15-7-6-14(10-13(15)8-9-1 9-16)21-17(22)20-11-12-4- 2-1-3-5-12/h1-10H,11H2,(H 2,18,19)(H2,20,21,22); HFHRTXJNMUTIEE-UHFFFAOYSA-N |
c1ccc(cc1)CNC(=O)Nc2ccc3c(c2)ccnc3N; Nc1 nccc2cc(NC(=O)NCc3ccccc3)ccc12 |
1-(1-azanylisoquinolin-6-yl)-3-(phenylmethyl)urea |
| 9786 |  7XK |
2 | C27 H40 N4 O6 | InChI=1S/C27H40N4O6/c1-27 (2,3)14-21(24(34)29-20(15 -32)13-19-11-12-28-23(19) 33)30-25(35)22(18-9-10-18 )31-26(36)37-16-17-7-5-4- 6-8-17/h4-8,18-22,32H,9-1 6H2,1-3H3,(H,28,33)(H,29, 34)(H,30,35)(H,31,36)/t19 -,20-,21-,22-/m0/s1; CGQZXXIEHUKDIH-CMOCDZPBSA-N |
CC(C)(C)CC(C(=O)NC(CC1CCNC1=O)CO)NC(=O)C (C2CC2)NC(=O)OCc3ccccc3; CC(C)(C)C[C@H]( NC(=O)[C@@H](NC(=O)OCc1ccccc1)C2CC2)C(=O )N[C@H](CO)C[C@@H]3CCNC3=O; CC(C)(C)C[CH ](NC(=O)[CH](NC(=O)OCc1ccccc1)C2CC2)C(=O )N[CH](CO)C[CH]3CCNC3=O; O=C(OCc1ccccc1) NC(C1CC1)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CC NC1=O)CO; CC(C)(C)C[C@@H](C(=O)N[C@@H](C [C@@H]1CCNC1=O)CO)NC(=O)[C@H](C2CC2)NC(= O)OCc3ccccc3 |
N~2~-[(2S)-2-{[(benzyloxy)carbonyl]amino}-2-cyclopropylacetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide |
| 9787 |  7XL |
1 | C11 H19 N3 O11 P2 | InChI=1S/C11H19N3O11P2/c1 2-7-1-2-14(11(18)13-7)10- 9(17)8(16)6(24-10)5-23-27 (21,22)25-26(19,20)4-3-15 /h1-2,6,8-10,15-17H,3-5H2 ,(H,19,20)(H,21,22)(H2,12 ,13,18)/t6-,8-,9-,10-/m1/ s1; ODFOOQGQRDVSPW-PEBGCTIMSA-N |
C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP (=O)(CCO)O)O)O; NC1=NC(=O)N(C=C1)[C@@H]2 O[C@H](CO[P](O)(=O)O[P](O)(=O)CCO)[C@@H] (O)[C@H]2O; NC1=NC(=O)N(C=C1)[CH]2O[CH]( CO[P](O)(=O)O[P](O)(=O)CCO)[CH](O)[CH]2O ; C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([ C@H](O2)COP(=O)(O)OP(=O)(CCO)O)O)O |
[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-(2-hydroxyethyl)phosphinic acid |
| 9788 |  7XM |
1 | C9 H9 N3 | InChI=1S/C9H9N3/c10-7-1-2 -8-6(5-7)3-4-12-9(8)11/h1 -5H,10H2,(H2,11,12); FTEJISMJEPMEAC-UHFFFAOYSA-N |
Nc1ccc2c(ccnc2N)c1; c1cc2c(ccnc2N)cc1N | isoquinoline-1,6-diamine |
| 9789 |  7XN CHEMBL4872328 |
1 | C26 H33 N5 O4 S | InChI=1S/C26H33N5O4S/c1-2 0(2)31-11-9-30(10-12-31)8 -4-5-21-15-24(19-27-17-21 )29-36(32,33)25-16-23(18- 28-26(25)34-3)22-6-13-35- 14-7-22/h6,15-20,29H,7-14 H2,1-3H3; WSRDHUWKQAFXNI-UHFFFAOYSA-N |
CC(C)N1CCN(CC1)CC#Cc2cc(cnc2)NS(=O)(=O)c 3cc(cnc3OC)C4=CCOCC4; COc1ncc(cc1[S](=O) (=O)Nc2cncc(c2)C#CCN3CCN(CC3)C(C)C)C4=CC OCC4 |
5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-~{N}-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]pyridin-3-yl]pyridine-3-sulfonamide |
| 9790 |  7XO CHEMBL2178351 ZINC000072318553 |
4 | C25 H30 N8 | InChI=1S/C25H30N8/c1-18(2 )33-23-22(29-25(33)28-19- 7-5-4-6-8-19)17-26-24(30- 23)27-20-9-11-21(12-10-20 )32-15-13-31(3)14-16-32/h 4-12,17-18H,13-16H2,1-3H3 ,(H,28,29)(H,26,27,30); BJQHKZQCLPRNHN-UHFFFAOYSA-N |
CC(C)n1c2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C )nc1Nc5ccccc5; CC(C)n1c(Nc2ccccc2)nc3cnc (Nc4ccc(cc4)N5CCN(C)CC5)nc13 |
N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-9-propan-2-yl-purine-2,8-diamine |
| 9791 |  7XP |
1 | C17 H34 N4 O10 | InChI=1S/C17H34N4O10/c18- 4-1-5(19)15(31-17-12(26)8 (20)6(23)3-28-17)13(27)14 (4)30-16-9(21)11(25)10(24 )7(2-22)29-16/h4-17,22-27 H,1-3,18-21H2/t4-,5+,6+,7 +,8-,9+,10+,11+,12+,13-,1 4+,15-,16+,17+/m0/s1; RSLPMOUJEPMGIJ-FHNUIXEPSA-N |
N[CH]1C[CH](N)[CH](O[CH]2OC[CH](O)[CH](N )[CH]2O)[CH](O)[CH]1O[CH]3O[CH](CO)[CH]( O)[CH](O)[CH]3N; C3(C(O)C(N)C(OC2C(C(OC1 C(O)C(C(CO1)O)N)C(CC2N)N)O)OC3CO)O; C1[C @@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H] 2[C@@H]([C@H]([C@@H](CO2)O)N)O)O)O[C@@H] 3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N)N ; N[C@H]1C[C@@H](N)[C@H](O[C@H]2OC[C@@H] (O)[C@H](N)[C@H]2O)[C@@H](O)[C@@H]1O[C@H ]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N; C1 C(C(C(C(C1N)OC2C(C(C(CO2)O)N)O)O)OC3C(C( C(C(O3)CO)O)O)N)N |
(1R,2S,3S,4R,6S)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-D-xylopyranosyl)oxy]-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside |
| 9792 |  7XQ CHEMBL4638533 |
12 | C12 H16 F N5 O3 | InChI=1S/C12H16FN5O3/c13- 6-5(1-2-19)9(20)10(21)8(6 )18-4-17-7-11(14)15-3-16- 12(7)18/h3-6,8-10,19-21H, 1-2H2,(H2,14,15,16)/t5-,6 +,8+,9+,10-/m0/s1; BHBYBYPYUGVDDF-LUTUWXHWSA-N |
c1nc(c2c(n1)n(cn2)C3C(C(C(C3F)CCO)O)O)N; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([ C@H]([C@H]3F)CCO)O)O)N; Nc1ncnc2n(cnc12) [C@H]3[C@H](O)[C@H](O)[C@@H](CCO)[C@H]3F ; Nc1ncnc2n(cnc12)[CH]3[CH](O)[CH](O)[CH ](CCO)[CH]3F |
(1R,2S,3S,4R,5R)-3-(6-aminopurin-9-yl)-4-fluoranyl-5-(2-hydroxyethyl)cyclopentane-1,2-diol |
| 9793 |  7XR CHEMBL2178352 ZINC000095580356 |
3 | C27 H32 N8 | InChI=1S/C27H32N8/c1-33-1 5-17-34(18-16-33)22-13-11 -21(12-14-22)29-26-28-19- 24-25(32-26)35(23-9-5-6-1 0-23)27(31-24)30-20-7-3-2 -4-8-20/h2-4,7-8,11-14,19 ,23H,5-6,9-10,15-18H2,1H3 ,(H,30,31)(H,28,29,32); QPOURHROVVCOHC-UHFFFAOYSA-N |
CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4) Nc5ccccc5)C6CCCC6; CN1CCN(CC1)c2ccc(Nc3n cc4nc(Nc5ccccc5)n(C6CCCC6)c4n3)cc2 |
9-cyclopentyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine |
| 9794 |  7XS CHEMBL4095252 |
4 | C20 H25 N5 O2 | InChI=1S/C20H25N5O2/c1-13 (2)9-17-18-19(24(3)23-17) 21-12-22-20(18)25-10-16(1 1-25)27-15-7-5-14(26-4)6- 8-15/h5-8,12-13,16H,9-11H 2,1-4H3; DGEVGQKNMPFAGC-UHFFFAOYSA-N |
N2(CC(Oc1ccc(OC)cc1)C2)c4ncnc3c4c(CC(C)C )nn3C; CC(C)Cc1c2c(ncnc2N3CC(C3)Oc4ccc(c c4)OC)n(n1)C; COc1ccc(OC2CN(C2)c3ncnc4n( C)nc(CC(C)C)c34)cc1 |
4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidine |
| 9795 |  7XT |
1 | C28 H44 N4 O6 | InChI=1S/C28H44N4O6/c1-18 (2)28(6,32-26(37)38-17-19 -10-8-7-9-11-19)25(36)31- 22(15-27(3,4)5)24(35)30-2 1(16-33)14-20-12-13-29-23 (20)34/h7-11,18,20-22,33H ,12-17H2,1-6H3,(H,29,34)( H,30,35)(H,31,36)(H,32,37 )/t20-,21-,22-,28-/m0/s1; OSUADHICZNMIND-STFWXSJUSA-N |
CC(C)[C@@](C)(C(=O)N[C@@H](CC(C)(C)C)C(= O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OCc2c cccc2; CC(C)[C@](C)(NC(=O)OCc1ccccc1)C(= O)N[C@@H](CC(C)(C)C)C(=O)N[C@H](CO)C[C@@ H]2CCNC2=O; CC(C)[C](C)(NC(=O)OCc1ccccc1 )C(=O)N[CH](CC(C)(C)C)C(=O)N[CH](CO)C[CH ]2CCNC2=O; CC(C)C(C)(NC(=O)OCc1ccccc1)C( =O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO; C C(C)C(C)(C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CC NC1=O)CO)NC(=O)OCc2ccccc2 |
N-[(benzyloxy)carbonyl]-3-methyl-L-isovalyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide |
| 9796 |  7XU CHEMBL2178353 ZINC000095573972 |
5 | C28 H34 N8 | InChI=1S/C28H34N8/c1-34-1 6-18-35(19-17-34)23-14-12 -22(13-15-23)30-27-29-20- 25-26(33-27)36(24-10-6-3- 7-11-24)28(32-25)31-21-8- 4-2-5-9-21/h2,4-5,8-9,12- 15,20,24H,3,6-7,10-11,16- 19H2,1H3,(H,31,32)(H,29,3 0,33); AHHAKQCKRCKTEH-UHFFFAOYSA-N |
CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4) Nc5ccccc5)C6CCCCC6; CN1CCN(CC1)c2ccc(Nc3 ncc4nc(Nc5ccccc5)n(C6CCCCC6)c4n3)cc2 |
9-cyclohexyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine |
| 9797 |  7XV CHEMBL4074798 |
4 | C18 H22 N4 O2 | InChI=1S/C18H22N4O2/c1-13 (2)10-16-20-21-17-11-19-1 2-18(22(16)17)24-9-8-14-6 -4-5-7-15(14)23-3/h4-7,11 -13H,8-10H2,1-3H3; VHLGQXDYVLGVOI-UHFFFAOYSA-N |
CC(C)Cc1nnc2n1c(cnc2)OCCc3ccccc3OC; n12c (cncc1nnc2CC(C)C)OCCc3ccccc3OC; COc1cccc c1CCOc2cncc3nnc(CC(C)C)n23 |
5-[2-(2-methoxyphenyl)ethoxy]-3-(2-methylpropyl)[1,2,4]triazolo[4,3-a]pyrazine |
| 9798 |  7XW CHEMBL4469876 |
1 | C17 H18 N2 O4 S | InChI=1S/C17H18N2O4S/c1-2 2-17-16(19-24(20,21)15-5- 3-2-4-6-15)11-14(12-18-17 )13-7-9-23-10-8-13/h2-7,1 1-12,19H,8-10H2,1H3; OZEVUWLUKNYTLV-UHFFFAOYSA-N |
COc1c(cc(cn1)C2=CCOCC2)NS(=O)(=O)c3ccccc 3; COc1ncc(cc1N[S](=O)(=O)c2ccccc2)C3=CC OCC3 |
N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide; N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxypyridin-3-yl]benzenesulfonamide |
| 9799 |  7XX CHEMBL4092292 ZINC000001391031 |
7 | C13 H10 Cl2 N2 O2 | InChI=1S/C13H10Cl2N2O2/c1 -17-6-7(5-10(17)13(16)19) 12(18)8-3-2-4-9(14)11(8)1 5/h2-6H,1H3,(H2,16,19); FMLVUFPKCOWTII-UHFFFAOYSA-N |
Cn1cc(cc1C(N)=O)C(=O)c2cccc(Cl)c2Cl; Cn1 cc(cc1C(=O)N)C(=O)c2cccc(c2Cl)Cl |
4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrole-2-carboxamide |
| 9800 |  7XY CHEMBL1230587 ZINC000016052337 |
4 | C29 H27 Cl N2 O5 S2 | InChI=1S/C29H27ClN2O5S2/c 30-24-13-7-8-21(18-24)19- 32(28(33)29(34)35)20-25-1 4-15-27(38-25)39(36,37)31 -17-16-26(22-9-3-1-4-10-2 2)23-11-5-2-6-12-23/h1-15 ,18,26,31H,16-17,19-20H2, (H,34,35); VTJWHBBWMSLPBI-UHFFFAOYSA-N |
OC(=O)C(=O)N(Cc1sc(cc1)[S](=O)(=O)NCCC(c 2ccccc2)c3ccccc3)Cc4cccc(Cl)c4; c1ccc(cc 1)C(CCNS(=O)(=O)c2ccc(s2)CN(Cc3cccc(c3)C l)C(=O)C(=O)O)c4ccccc4; O=S(=O)(c1sc(cc1 )CN(C(=O)C(=O)O)Cc2cccc(Cl)c2)NCCC(c3ccc cc3)c4ccccc4 |
{(3-CHLOROBENZYL)[(5-{[(3,3-DIPHENYLPROPYL)AMINO]SULFONYL}-2-THIENYL)METHYL]AMINO}(OXO)ACETIC ACID |