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Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 14001 | A1BFP | 1 | C9 H15 N3 O S | InChI=1S/C9H15N3OS/c1-12- 3-4-13-8(7-12)6-11-9-10-2 -5-14-9/h2,5,8H,3-4,6-7H2 ,1H3,(H,10,11); ZGXKOJCCDSYBKF-UHFFFAOYSA-N |
CN1CC(OCC1)CNc1nccs1; CN1CCOC(C1)CNc2ncc s2; CN1CCO[CH](CNc2sccn2)C1; CN1CCO[C@@H ](CNc2sccn2)C1; CN1CCO[C@H](C1)CNc2nccs2 |
N-{[(2R)-4-methylmorpholin-2-yl]methyl}-1,3-thiazol-2-amine |
| 14002 | A1BFQ | 1 | C7 H8 N4 O | InChI=1S/C7H8N4O/c1-4-5-3 -8-9-7(12)6(5)11(2)10-4/h 3H,1-2H3,(H,9,12); OPCFDCSZKUXVME-UHFFFAOYSA-N |
Cc1c2cnnc(c2n(n1)C)O; Cn1nc(C)c2cnnc(O)c 12; Oc1nncc2c1n(C)nc2C |
1,3-dimethyl-1H-pyrazolo[3,4-d]pyridazin-7-ol |
| 14003 | A1BFR | 1 | C10 H18 N2 O3 | InChI=1S/C10H18N2O3/c1-11 (2)9(13)12-4-6-15-8-10(12 )3-5-14-7-10/h3-8H2,1-2H3 /t10-/m0/s1; RZCFMNWZMOAPRJ-JTQLQIEISA-N |
CN(C)C(=O)N1CCOC[C]12CCOC2; CN(C)C(=O)N1 CCOC[C@@]12CCOC2; CN(C)C(=O)N1CCOCC12CCO C2; CN(C)C(=O)N1CCOCC21COCC2 |
(5S)-N,N-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide |
| 14004 | A1BFS | 2 | C10 H17 N O2 S | InChI=1S/C10H17NO2S/c1-3- 4-7-11(2)10-5-8-14(12,13) 9-6-10/h10H,5-9H2,1-2H3; PFUSCIQPWKGDKP-UHFFFAOYSA-N |
CC#CCN(C)C1CCS(=O)(=O)CC1; CC#CCN(C)C1CC [S](=O)(=O)CC1; O=S1(=O)CCC(CC1)N(C)CC#C C |
4-[(but-2-yn-1-yl)(methyl)amino]-1lambda~6~-thiane-1,1-dione |
| 14005 | A1BFT | 1 | C11 H18 N2 O S | InChI=1S/C11H18N2OS/c1-9- 3-4-13(7-11(9)14-2)6-10-5 -12-8-15-10/h5,8-9,11H,3- 4,6-7H2,1-2H3; UXYBJSJEXNRBGO-UHFFFAOYSA-N |
CO[CH]1CN(CC[CH]1C)Cc2scnc2; CC1CCN(CC1O C)Cc1cncs1; CC1CCN(CC1OC)Cc2cncs2; CO[C@ H]1CN(CC[C@H]1C)Cc2scnc2; C[C@@H]1CCN(C[ C@@H]1OC)Cc2cncs2 |
(3S,4S)-3-methoxy-4-methyl-1-[(1,3-thiazol-5-yl)methyl]piperidine |
| 14006 | A1BFU | 2 | C8 H16 N2 O3 S | InChI=1S/C8H16N2O3S/c1-13 -8-6-10(7-8)14(11,12)9-4- 2-3-5-9/h8H,2-7H2,1H3; KONUKKZPOYOKNK-UHFFFAOYSA-N |
COC1CN(C1)S(=O)(=O)N2CCCC2; O=S(=O)(N1CC (OC)C1)N1CCCC1; COC1CN(C1)[S](=O)(=O)N2C CCC2 |
1-(3-methoxyazetidine-1-sulfonyl)pyrrolidine |
| 14007 | A1BFV | 1 | C10 H15 F N2 O2 | InChI=1S/C10H15FN2O2/c11- 9-2-1-3-13(8-9)10(14)12-4 -6-15-7-5-12/h2H,1,3-8H2; LDGCQIOEOKUKQW-UHFFFAOYSA-N |
C1CN(CC(=C1)F)C(=O)N2CCOCC2; O=C(N1CC(F) =CCC1)N1CCOCC1; FC1=CCCN(C1)C(=O)N2CCOCC 2 |
(5-fluoro-3,6-dihydropyridin-1(2H)-yl)(morpholin-4-yl)methanone |
| 14008 | A1BFW CHEMBL4970986 |
1 | C10 H15 N3 O2 | InChI=1S/C10H15N3O2/c1-13 -5-4-9(12-13)10(14)11-7-8 -3-2-6-15-8/h4-5,8H,2-3,6 -7H2,1H3,(H,11,14); WBAZBPMBDLSPCX-UHFFFAOYSA-N |
Cn1ccc(n1)C(=O)NCC2CCCO2; Cn1ccc(n1)C(=O )NC[CH]2CCCO2; Cn1ccc(n1)C(=O)NC[C@H]2CC CO2; O=C(NCC1CCCO1)c1ccn(C)n1 |
1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide |
| 14009 | A1BFX | 3 | C9 H13 N3 O2 S | InChI=1S/C9H13N3O2S/c1-6- 5-14-7(2)4-12(6)9(13)8-3- 10-15-11-8/h3,6-7H,4-5H2, 1-2H3; IKMQGCCZPWFVJE-UHFFFAOYSA-N |
CC1CN(C(CO1)C)C(=O)c2cnsn2; C[C@@H]1CN([ C@H](C)CO1)C(=O)c2cnsn2; O=C(N1CC(C)OCC1 C)c1cnsn1; C[C@@H]1CN([C@@H](CO1)C)C(=O) c2cnsn2; C[CH]1CN([CH](C)CO1)C(=O)c2cnsn 2 |
[(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone |
| 14010 | A1BFY CHEMBL4954986 |
1 | C10 H19 N O3 S | InChI=1S/C10H19NO3S/c1-15 (12,13)11-9-4-7-14-10(8-9 )5-2-3-6-10/h9,11H,2-8H2, 1H3; FKSXOIFBVQFQLW-UHFFFAOYSA-N |
CS(=O)(=O)N[C@H]1CCOC2(C1)CCCC2; C[S](=O )(=O)N[CH]1CCOC2(CCCC2)C1; CS(=O)(=O)NC1 CC2(CCCC2)OCC1; CS(=O)(=O)NC1CCOC2(C1)CC CC2; C[S](=O)(=O)N[C@H]1CCOC2(CCCC2)C1 |
N-[(9S)-6-oxaspiro[4.5]decan-9-yl]methanesulfonamide |
| 14011 | A1BFZ | 3 | C8 H15 N3 O2 S | InChI=1S/C8H15N3O2S/c1-6( 10-14(4,12)13)8-5-9-11(3) 7(8)2/h5-6,10H,1-4H3; DPWJNSPPALAEBZ-UHFFFAOYSA-N |
C[CH](N[S](C)(=O)=O)c1cnn(C)c1C; Cc1c(cn n1C)[C@@H](C)NS(=O)(=O)C; Cc1c(cnn1C)C(C )NS(=O)(=O)C; C[C@@H](N[S](C)(=O)=O)c1cn n(C)c1C; Cn1ncc(C(C)NS(C)(=O)=O)c1C |
N-[(1R)-1-(1,5-dimethyl-1H-pyrazol-4-yl)ethyl]methanesulfonamide |
| 14012 | A1BG0 CHEMBL5599662 |
1 | C17 H16 N4 O2 | InChI=1S/C17H16N4O2/c1-21 -11-13(10-19-21)20-17(22) 15-6-4-3-5-14(15)12-7-8-1 8-16(9-12)23-2/h3-11H,1-2 H3,(H,20,22); AACDVFMAAOMMMJ-UHFFFAOYSA-N |
COc1cc(ccn1)c2ccccc2C(=O)Nc3cnn(C)c3; O= C(Nc1cn(C)nc1)c1ccccc1c1ccnc(OC)c1; Cn1c c(cn1)NC(=O)c2ccccc2c3ccnc(c3)OC |
(2P)-2-(2-methoxypyridin-4-yl)-N-(1-methyl-1H-pyrazol-4-yl)benzamide |
| 14013 | A1BG2 CHEMBL5599117 |
1 | C16 H13 N3 O S | InChI=1S/C16H13N3OS/c1-11 -10-17-6-5-14(11)19-15(20 )12-3-2-4-13(9-12)16-18-7 -8-21-16/h2-10H,1H3,(H,17 ,19,20); HFFACLLXIVKSBM-UHFFFAOYSA-N |
Cc1cnccc1NC(=O)c2cccc(c2)c3nccs3; Cc1cnc cc1NC(=O)c1cccc(c1)c1nccs1; Cc1cnccc1NC( =O)c2cccc(c2)c3sccn3 |
N-(3-methylpyridin-4-yl)-3-(1,3-thiazol-2-yl)benzamide |
| 14014 | A1BG3 CHEMBL5607448 |
1 | C17 H15 F N4 O | InChI=1S/C17H15FN4O/c1-11 -7-12(8-19-16(11)18)14-5- 3-4-6-15(14)17(23)21-13-9 -20-22(2)10-13/h3-10H,1-2 H3,(H,21,23); KJYDMCVPVRPDHU-UHFFFAOYSA-N |
Cc1cc(cnc1F)c2ccccc2C(=O)Nc3cnn(c3)C; O= C(Nc1cn(C)nc1)c1ccccc1c1cc(C)c(F)nc1; Cn 1cc(NC(=O)c2ccccc2c3cnc(F)c(C)c3)cn1 |
(2P)-2-(6-fluoro-5-methylpyridin-3-yl)-N-(1-methyl-1H-pyrazol-4-yl)benzamide |
| 14015 | A1BG4 CHEMBL5599055 |
1 | C17 H17 N5 O | InChI=1S/C17H17N5O/c1-18- 16-8-7-12(9-19-16)14-5-3- 4-6-15(14)17(23)21-13-10- 20-22(2)11-13/h3-11H,1-2H 3,(H,18,19)(H,21,23); WDDHZWPWZGDUBC-UHFFFAOYSA-N |
CNc1ccc(cn1)c2ccccc2C(=O)Nc3cnn(C)c3; O= C(Nc1cn(C)nc1)c1ccccc1c1ccc(NC)nc1; CNc1 ccc(cn1)c2ccccc2C(=O)Nc3cnn(c3)C |
(2M)-2-[6-(methylamino)pyridin-3-yl]-N-(1-methyl-1H-pyrazol-4-yl)benzamide |
| 14016 | A1BG5 CHEMBL5599143 |
1 | C15 H14 N4 O | InChI=1S/C15H14N4O/c1-10- 8-16-5-3-13(10)18-15(20)1 2-4-6-19-9-11(2)17-14(19) 7-12/h3-9H,1-2H3,(H,16,18 ,20); FOMZSURVVLMOJM-UHFFFAOYSA-N |
Cc1cnccc1NC(=O)c2ccn3cc(nc3c2)C; Cc1cn2c cc(cc2n1)C(=O)Nc3ccncc3C; Cc1cnccc1NC(=O )c1cc2nc(C)cn2cc1 |
(4R)-2-methyl-N-(3-methylpyridin-4-yl)imidazo[1,2-a]pyridine-7-carboxamide |
| 14017 | A1BG6 CHEMBL5400766 |
1 | C6 H7 Br N | InChI=1S/C6H7BrN/c1-8-4-2 -3-6(7)5-8/h2-5H,1H3/q+1; HETQOWPCHKBEFO-UHFFFAOYSA-N |
C[n+]1cccc(c1)Br; C[n+]1cccc(Br)c1 | 3-bromanyl-1-methyl-pyridine |
| 14018 | A1BG8 CHEMBL5608079 |
1 | C16 H15 N5 O | InChI=1S/C16H15N5O/c1-11- 17-7-12(8-18-11)14-5-3-4- 6-15(14)16(22)20-13-9-19- 21(2)10-13/h3-10H,1-2H3,( H,20,22); WYOZJAIIAKMJNP-UHFFFAOYSA-N |
Cc1ncc(cn1)c2ccccc2C(=O)Nc3cnn(c3)C; Cn1 cc(NC(=O)c2ccccc2c3cnc(C)nc3)cn1; O=C(Nc 1cn(C)nc1)c1ccccc1c1cnc(C)nc1 |
N-(1-methyl-1H-pyrazol-4-yl)-2-(2-methylpyrimidin-5-yl)benzamide |
| 14019 | A1BG9 CHEMBL5605978 |
2 | C15 H19 N5 O | InChI=1S/C15H19N5O/c1-10- 13(15(21)19-12-6-2-3-8-17 -12)20-14(18-10)11-5-4-7- 16-9-11/h2-3,6,8,11,16H,4 -5,7,9H2,1H3,(H,18,20)(H, 17,19,21)/t11-/m0/s1; XCVYJDDLPGWFGF-NSHDSACASA-N |
Cc1c([nH]c(n1)C2CCCNC2)C(=O)Nc3ccccn3; C c1nc([nH]c1C(=O)Nc2ccccn2)[C@H]3CCCNC3; Cc1nc([NH]c1C(=O)Nc1ccccn1)C1CCCNC1; Cc1 c([nH]c(n1)[C@H]2CCCNC2)C(=O)Nc3ccccn3; Cc1nc([nH]c1C(=O)Nc2ccccn2)[CH]3CCCNC3 |
4-methyl-2-[(3S)-piperidin-3-yl]-N-(pyridin-2-yl)-1H-imidazole-5-carboxamide |
| 14020 | A1BGB | 19 | C25 H23 N3 O2 | InChI=1S/C25H23N3O2/c1-17 -9-8-10-18(2)24(17)26-23( 29)16-28-25(30)21-14-7-6- 13-20(21)22(27-28)15-19-1 1-4-3-5-12-19/h3-14H,15-1 6H2,1-2H3,(H,26,29); ORLWGDAKUUGLJW-UHFFFAOYSA-N |
Cc1cccc(c1NC(=O)CN2C(=O)c3ccccc3C(=N2)Cc 4ccccc4)C; Cc1cccc(C)c1NC(=O)CN2N=C(Cc3c cccc3)c4ccccc4C2=O; Cc1cccc(C)c1NC(=O)CN 1N=C(Cc2ccccc2)c2ccccc2C1=O |
2-(4-benzyl-1-oxophthalazin-2(1H)-yl)-N-(2,6-dimethylphenyl)acetamide |
| 14021 | A1BGC | 2 | C14 H16 N3 O5 P | InChI=1S/C14H16N3O5P/c1-1 0-14(18)13(8-15-7-12-4-2- 3-5-16-12)11(6-17-10)9-22 -23(19,20)21/h2-6,8,18H,7 ,9H2,1H3,(H2,19,20,21)/b1 5-8+; DLZFMIJJITXVAE-OVCLIPMQSA-N |
Cc1c(c(c(cn1)COP(=O)(O)O)C=NCc2ccccn2)O; Cc1ncc(CO[P](O)(O)=O)c(C=NCc2ccccn2)c1O ; Oc1c(/C=N/Cc2ccccn2)c(cnc1C)COP(=O)(O) O; Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/Cc2cccc n2)O |
{5-hydroxy-6-methyl-4-[(E)-{[(pyridin-2-yl)methyl]imino}methyl]pyridin-3-yl}methyl dihydrogen phosphate |
| 14022 | A1BGE | 2 | C20 H31 N9 O6 S2 | InChI=1S/C20H31N9O6S2/c21 -17-14-18(23-8-22-17)29(9 -24-14)19-16(31)15(30)11( 35-19)6-26-37(33,34)25-5- 3-1-2-4-12-13-10(7-36-12) 27-20(32)28-13/h8-13,15-1 6,19,25-26,30-31H,1-7H2,( H2,21,22,23)(H2,27,28,32) /t10-,11+,12-,13-,15+,16+ ,19+/m0/s1; XESGTLMEDWYNFU-SQGSUPJISA-N |
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CN[S](=O)( =O)NCCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45) [C@@H](O)[C@H]3O; c1nc(c2c(n1)n(cn2)C3C( C(C(O3)CNS(=O)(=O)NCCCCCC4C5C(CS4)NC(=O) N5)O)O)N; Nc1ncnc2n(cnc12)[CH]3O[CH](CN[ S](=O)(=O)NCCCCC[CH]4SC[CH]5NC(=O)N[CH]4 5)[CH](O)[CH]3O; O=C1NC2C(CCCCCNS(=O)(=O )NCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)SCC2N1; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([ C@H](O3)CNS(=O)(=O)NCCCCC[C@H]4[C@@H]5[C @H](CS4)NC(=O)N5)O)O)N |
5'-deoxy-5'-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}sulfamamido)adenosine |
| 14023 | A1BGF CHEMBL5279277 |
2 | C22 H30 N10 O4 S | InChI=1S/C22H30N10O4S/c23 -19-16-20(25-9-24-19)32(1 0-26-16)21-18(34)17(33)13 (36-21)7-31-6-11(29-30-31 )4-2-1-3-5-14-15-12(8-37- 14)27-22(35)28-15/h6,9-10 ,12-15,17-18,21,33-34H,1- 5,7-8H2,(H2,23,24,25)(H2, 27,28,35)/t12-,13+,14-,15 -,17+,18+,21+/m0/s1; PNZFOGQAKKAJAB-ZOFBHSOPSA-N |
c1c(nnn1C[C@@H]2[C@H]([C@H]([C@@H](O2)n3 cnc4c3ncnc4N)O)O)CCCCC[C@H]5[C@@H]6[C@H] (CS5)NC(=O)N6; Nc1ncnc2n(cnc12)[C@@H]3O[ C@H](Cn4cc(CCCCC[C@@H]5SC[C@@H]6NC(=O)N[ C@H]56)nn4)[C@@H](O)[C@H]3O; Nc1ncnc2n(c nc12)[CH]3O[CH](Cn4cc(CCCCC[CH]5SC[CH]6N C(=O)N[CH]56)nn4)[CH](O)[CH]3O; c1c(nnn1 CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)CCCCCC5C6 C(CS5)NC(=O)N6; O=C1NC2C(CCCCCc3cn(CC4OC (n5cnc6c(N)ncnc65)C(O)C4O)nn3)SCC2N1 |
5'-deoxy-5'-(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)adenosine |
| 14024 | A1BGH CHEMBL5001212 |
2 | C10 H14 F3 N3 | InChI=1S/C10H14F3N3/c1-16 -6-8(10(11,12)13)15-9(16) 7-3-2-4-14-5-7/h6-7,14H,2 -5H2,1H3/t7-/m1/s1; ZPUMPEAGLZCEBQ-SSDOTTSWSA-N |
Cn1cc(nc1C1CNCCC1)C(F)(F)F; Cn1cc(nc1C2C CCNC2)C(F)(F)F; Cn1cc(nc1[CH]2CCCNC2)C(F )(F)F; Cn1cc(nc1[C@H]2CCCNC2)C(F)(F)F |
(3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine |
| 14025 | A1BGI CHEMBL5606935 |
1 | C14 H12 N4 O | InChI=1S/C14H12N4O/c1-18- 9-10(8-16-18)17-14(19)12- 4-2-6-13-11(12)5-3-7-15-1 3/h2-9H,1H3,(H,17,19); RKNPJCYEHJEUDX-UHFFFAOYSA-N |
Cn1cc(cn1)NC(=O)c2cccc3c2cccn3; O=C(Nc1c n(C)nc1)c1cccc2ncccc21; Cn1cc(NC(=O)c2cc cc3ncccc23)cn1 |
N-(1-methyl-1H-pyrazol-4-yl)quinoline-5-carboxamide |
| 14026 | A1BGJ | 2 | C21 H26 Cl N3 O3 | InChI=1S/C21H26ClN3O3/c1- 21(2,13-26)24-20(28)15-8- 17(22)10-18(9-15)23-11-14 -5-6-19(27)16(7-14)12-25( 3)4/h5-11,26-27H,12-13H2, 1-4H3,(H,24,28)/b23-11+; SVLDALLXLLTUSY-FOKLQQMPSA-N |
CC(C)(CO)NC(=O)c1cc(cc(c1)Cl)N=Cc2ccc(c( c2)CN(C)C)O; CN(C)Cc1cc(ccc1O)C=Nc2cc(Cl )cc(c2)C(=O)NC(C)(C)CO; CC(C)(CO)NC(=O)c 1cc(cc(c1)Cl)/N=C/c2ccc(c(c2)CN(C)C)O; C lc1cc(cc(/N=C/c2ccc(O)c(CN(C)C)c2)c1)C(= O)NC(C)(C)CO |
3-chloro-5-[(E)-({3-[(dimethylamino)methyl]-4-hydroxyphenyl}methylidene)amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide |
| 14027 | A1BGK CHEMBL5608024 |
1 | C17 H16 N4 O2 | InChI=1S/C17H16N4O2/c1-21 -11-13(10-19-21)20-17(22) 15-6-4-3-5-14(15)12-7-8-1 6(23-2)18-9-12/h3-11H,1-2 H3,(H,20,22); FCFUOJDSXTXYGT-UHFFFAOYSA-N |
O=C(Nc1cn(C)nc1)c1ccccc1c1ccc(OC)nc1; CO c1ccc(cn1)c2ccccc2C(=O)Nc3cnn(C)c3; Cn1c c(cn1)NC(=O)c2ccccc2c3ccc(nc3)OC |
(2P)-2-(6-methoxypyridin-3-yl)-N-(1-methyl-1H-pyrazol-4-yl)benzamide |
| 14028 | A1BGL CHEMBL5605395 |
4 | C21 H22 N4 O3 S | InChI=1S/C21H22N4O3S/c1-2 9(27,28)20-8-7-15(25-12-1 0-22-11-13-25)14-19(20)24 -21(26)17-4-2-6-18-16(17) 5-3-9-23-18/h2-9,14,22H,1 0-13H2,1H3,(H,24,26); FYNLNQWOIBMINH-UHFFFAOYSA-N |
CS(=O)(=O)c1ccc(cc1NC(=O)c2cccc3c2cccn3) N4CCNCC4; C[S](=O)(=O)c1ccc(cc1NC(=O)c2c ccc3ncccc23)N4CCNCC4; CS(=O)(=O)c1ccc(cc 1NC(=O)c1cccc2ncccc21)N1CCNCC1 |
N-[2-(methanesulfonyl)-5-(piperazin-1-yl)phenyl]quinoline-5-carboxamide |
| 14029 | A1BGM CHEMBL5608047 |
1 | C18 H25 Cl N4 O2 S | InChI=1S/C18H25ClN4O2S/c1 -18(2,11-24)22-17(25)12-5 -13(19)7-14(6-12)20-8-15- 10-26-16(21-15)9-23(3)4/h 5-7,10,20,24H,8-9,11H2,1- 4H3,(H,22,25); HTINJLWXAVBVIH-UHFFFAOYSA-N |
CN(C)Cc1scc(CNc2cc(Cl)cc(c2)C(=O)NC(C)(C )CO)n1; CN(C)Cc1nc(CNc2cc(cc(Cl)c2)C(=O) NC(C)(C)CO)cs1; CC(C)(CO)NC(=O)c1cc(cc(c 1)Cl)NCc2csc(n2)CN(C)C |
3-chloro-5-[({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}methyl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide |
| 14030 | A1BGN CHEMBL5607859 |
1 | C16 H20 N8 O2 | InChI=1S/C16H20N8O2/c1-11 -7-14(24-15(20-11)18-10-1 9-24)26-9-12-8-13(25-2)22 -16(21-12)23-5-3-17-4-6-2 3/h7-8,10,17H,3-6,9H2,1-2 H3; CGSRTOYWSPEOSW-UHFFFAOYSA-N |
Cc1cc(n2c(n1)ncn2)OCc3cc(nc(n3)N4CCNCC4) OC; COc1cc(COc2cc(C)nc3ncnn23)nc(n1)N4CC NCC4; COc1cc(nc(n1)N1CCNCC1)COc1cc(C)nc2 ncnn12 |
(8S)-7-{[6-methoxy-2-(piperazin-1-yl)pyrimidin-4-yl]methoxy}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine |
| 14031 | A1BGO CHEMBL5598983 |
1 | C15 H16 N4 O2 | InChI=1S/C15H16N4O2/c1-3- 14(20)18-12-6-11(8-17-9-1 2)15(21)19-13-4-5-16-7-10 (13)2/h4-9H,3H2,1-2H3,(H, 18,20)(H,16,19,21); ZVXOEORUBXTFDQ-UHFFFAOYSA-N |
CCC(=O)Nc1cc(cnc1)C(=O)Nc2ccncc2C; O=C(N c1cc(cnc1)C(=O)Nc1ccncc1C)CC; CCC(=O)Nc1 cncc(c1)C(=O)Nc2ccncc2C |
N-(3-methylpyridin-4-yl)-5-propanamidopyridine-3-carboxamide |
| 14032 | A1BGP CHEMBL5607691 |
1 | C18 H22 N4 O S | InChI=1S/C18H22N4OS/c23-1 8(16-12-24-17(21-16)14-4- 2-7-20-10-14)22-8-5-15(11 -22)13-3-1-6-19-9-13/h1,3 ,6,9,12,14-15,20H,2,4-5,7 -8,10-11H2; HJDDUPBBJQPCON-UHFFFAOYSA-N |
c1cc(cnc1)C2CCN(C2)C(=O)c3csc(n3)C4CCCNC 4; c1cc(cnc1)[C@H]2CCN(C2)C(=O)c3csc(n3) [C@H]4CCCNC4; O=C(N1CC[CH](C1)c2cccnc2)c 3csc(n3)[CH]4CCCNC4; O=C(N1CC[C@@H](C1)c 2cccnc2)c3csc(n3)[C@H]4CCCNC4; O=C(c1csc (n1)C1CNCCC1)N1CCC(C1)c1cccnc1 |
{2-[(3R)-piperidin-3-yl]-1,3-thiazol-4-yl}[(3S)-3-(pyridin-3-yl)pyrrolidin-1-yl]methanone |
| 14033 | A1BGQ CHEMBL5599698 |
1 | C22 H27 N3 O2 | InChI=1S/C22H27N3O2/c23-1 6-18-11-9-17(10-12-18)15- 20(22(27)25-13-5-2-6-14-2 5)24-21(26)19-7-3-1-4-8-1 9/h1,3-4,7-12,20H,2,5-6,1 3-16,23H2,(H,24,26)/t20-/ m0/s1; ZEXKKFHGSAYAJI-FQEVSTJZSA-N |
c1ccc(cc1)C(=O)N[C@@H](Cc2ccc(cc2)CN)C(= O)N3CCCCC3; c1ccc(cc1)C(=O)NC(Cc2ccc(cc2 )CN)C(=O)N3CCCCC3; O=C(C(Cc1ccc(CN)cc1)N C(=O)c1ccccc1)N1CCCCC1; NCc1ccc(C[CH](NC (=O)c2ccccc2)C(=O)N3CCCCC3)cc1; NCc1ccc( C[C@H](NC(=O)c2ccccc2)C(=O)N3CCCCC3)cc1 |
N-[(2S)-3-[4-(aminomethyl)phenyl]-1-oxo-1-(piperidin-1-yl)propan-2-yl]benzamide |
| 14034 | A1BGR CHEMBL5607540 |
1 | C16 H18 Cl N3 O5 | InChI=1S/C16H18ClN3O5/c1- 16(2,8-21)19-14(23)9-4-10 (17)6-11(5-9)18-15(24)12- 7-13(22)20(3)25-12/h4-7,2 1H,8H2,1-3H3,(H,18,24)(H, 19,23); CSQNGCOGZOXVAY-UHFFFAOYSA-N |
CC(C)(CO)NC(=O)c1cc(cc(c1)Cl)NC(=O)C2=CC (=O)N(O2)C; CN1OC(=CC1=O)C(=O)Nc2cc(Cl)c c(c2)C(=O)NC(C)(C)CO; O=C(Nc1cc(cc(Cl)c1 )C(=O)NC(C)(C)CO)C1=CC(=O)N(C)O1 |
N-{3-chloro-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl}-2-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide |
| 14035 | A1BGS CHEMBL5599648 |
2 | C19 H27 N7 O | InChI=1S/C19H27N7O/c1-27- 18-14-16(23-19(24-18)26-1 0-6-21-7-11-26)12-15-2-3- 22-17(13-15)25-8-4-20-5-9 -25/h2-3,13-14,20-21H,4-1 2H2,1H3; JUPFIHBGLOTCIX-UHFFFAOYSA-N |
COc1cc(Cc2ccnc(c2)N3CCNCC3)nc(n1)N4CCNCC 4; COc1nc(nc(Cc2ccnc(c2)N2CCNCC2)c1)N1CC NCC1; COc1cc(nc(n1)N2CCNCC2)Cc3ccnc(c3)N 4CCNCC4 |
4-methoxy-2-(piperazin-1-yl)-6-{[2-(piperazin-1-yl)pyridin-4-yl]methyl}pyrimidine |
| 14036 | A1BGT CHEMBL5606637 |
2 | C17 H20 N4 O2 | InChI=1S/C17H20N4O2/c1-12 -9-18-7-5-15(12)20-16(22) 14-3-2-8-21(17(14)23)11-1 3-4-6-19-10-13/h2-3,5,7-9 ,13,19H,4,6,10-11H2,1H3,( H,18,20,22)/t13-/m1/s1; BAEXPXCEECSBTP-CYBMUJFWSA-N |
Cc1cnccc1NC(=O)C2=CC=CN(C[C@@H]3CCNC3)C2 =O; Cc1cnccc1NC(=O)C2=CC=CN(C2=O)CC3CCNC 3; Cc1cnccc1NC(=O)C2=CC=CN(C2=O)C[C@@H]3 CCNC3; Cc1cnccc1NC(=O)C1=CC=CN(CC2CNCC2) C1=O; Cc1cnccc1NC(=O)C2=CC=CN(C[CH]3CCNC 3)C2=O |
N-(3-methylpyridin-4-yl)-2-oxo-1-{[(3R)-pyrrolidin-3-yl]methyl}-1,2-dihydropyridine-3-carboxamide |
| 14037 | A1BGU CHEMBL5607494 |
1 | C15 H18 N6 O | InChI=1S/C15H18N6O/c1-9(2 )17-15-19-12-5-4-10(6-13( 12)20-15)14(22)18-11-7-16 -21(3)8-11/h4-9H,1-3H3,(H ,18,22)(H2,17,19,20); UAGMAIDGXYXCSZ-UHFFFAOYSA-N |
CC(C)Nc1[nH]c2cc(ccc2n1)C(=O)Nc3cnn(C)c3 ; O=C(Nc1cn(C)nc1)c1ccc2nc(NC(C)C)[NH]c2 c1; CC(C)Nc1[nH]c2cc(ccc2n1)C(=O)Nc3cnn( c3)C |
N-(1-methyl-1H-pyrazol-4-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide |
| 14038 | A1BGV CHEMBL5607222 |
1 | C16 H18 N6 O2 | InChI=1S/C16H18N6O2/c1-8( 2)19-16-21-11-4-3-9(5-12( 11)22-16)15(24)20-10-6-13 (14(17)23)18-7-10/h3-8,18 H,1-2H3,(H2,17,23)(H,20,2 4)(H2,19,21,22); NNDZQUVYMKFTSR-UHFFFAOYSA-N |
CC(C)Nc1[nH]c2cc(ccc2n1)C(=O)Nc3cc([nH]c 3)C(=O)N; NC(=O)c1cc(c[NH]1)NC(=O)c1ccc2 nc(NC(C)C)[NH]c2c1; CC(C)Nc1[nH]c2cc(ccc 2n1)C(=O)Nc3c[nH]c(c3)C(N)=O |
N-(5-carbamoyl-1H-pyrrol-3-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide |
| 14039 | A1BGW CHEMBL5606694 |
2 | C15 H22 N6 O | InChI=1S/C15H22N6O/c1-9-1 3(15(22)18-8-12-7-17-10(2 )20-12)21-14(19-9)11-4-3- 5-16-6-11/h7,11,16H,3-6,8 H2,1-2H3,(H,17,20)(H,18,2 2)(H,19,21)/t11-/m0/s1; ZVEYJTBRDUORTQ-NSHDSACASA-N |
Cc1c([nH]c(n1)[C@H]2CCCNC2)C(=O)NCc3c[nH ]c(n3)C; Cc1[NH]cc(n1)CNC(=O)c1[NH]c(nc1 C)C1CCCNC1; Cc1c([nH]c(n1)C2CCCNC2)C(=O) NCc3c[nH]c(n3)C; Cc1[nH]cc(CNC(=O)c2[nH] c(nc2C)[CH]3CCCNC3)n1; Cc1[nH]cc(CNC(=O) c2[nH]c(nc2C)[C@H]3CCCNC3)n1 |
4-methyl-N-[(2-methyl-1H-imidazol-4-yl)methyl]-2-[(3S)-piperidin-3-yl]-1H-imidazole-5-carboxamide |
| 14040 | A1BGX CHEMBL5606813 |
1 | C17 H16 N4 O2 | InChI=1S/C17H16N4O2/c1-21 -11-13(9-19-21)20-17(22)1 6-6-4-3-5-15(16)12-7-14(2 3-2)10-18-8-12/h3-11H,1-2 H3,(H,20,22); IIBHKLQHOHXRCH-UHFFFAOYSA-N |
Cn1cc(cn1)NC(=O)c2ccccc2c3cc(cnc3)OC; CO c1cncc(c1)c2ccccc2C(=O)Nc3cnn(C)c3; O=C( Nc1cn(C)nc1)c1ccccc1c1cc(OC)cnc1 |
(2P)-2-(5-methoxypyridin-3-yl)-N-(1-methyl-1H-pyrazol-4-yl)benzamide |
| 14041 | A1BGY CHEMBL5606763 |
2 | C16 H19 N3 O | InChI=1S/C16H19N3O/c1-10- 9-17-7-6-14(10)18-16(20)1 3-8-15(12-4-5-12)19(3)11( 13)2/h6-9,12H,4-5H2,1-3H3 ,(H,17,18,20); SQWXQKIKIAPPEQ-UHFFFAOYSA-N |
Cc1cnccc1NC(=O)c2cc(n(c2C)C)C3CC3; Cn1c( C)c(cc1C2CC2)C(=O)Nc3ccncc3C; O=C(Nc1ccn cc1C)c1cc(C2CC2)n(C)c1C |
5-cyclopropyl-1,2-dimethyl-N-(3-methylpyridin-4-yl)-1H-pyrrole-3-carboxamide |
| 14042 | A1BGZ CHEMBL5607161 |
1 | C18 H18 N4 O2 | InChI=1S/C18H18N4O2/c1-22 -11-15(10-20-22)21-18(23) 17-6-4-3-5-16(17)13-7-8-1 9-14(9-13)12-24-2/h3-11H, 12H2,1-2H3,(H,21,23); QLEJHKGASBJBRV-UHFFFAOYSA-N |
O=C(Nc1cn(C)nc1)c1ccccc1c1ccnc(COC)c1; C OCc1cc(ccn1)c2ccccc2C(=O)Nc3cnn(C)c3; Cn 1cc(cn1)NC(=O)c2ccccc2c3ccnc(c3)COC |
(2M)-2-[2-(methoxymethyl)pyridin-4-yl]-N-(1-methyl-1H-pyrazol-4-yl)benzamide |
| 14043 | A1BH2 | 2 | C15 H16 O2 S | InChI=1S/C15H16O2S/c1-3-1 0-6-5-7-11(4-2)14(10)12-8 -9-13(18-12)15(16)17/h5-9 H,3-4H2,1-2H3,(H,16,17); OZTRYCWXRAYPCS-UHFFFAOYSA-N |
CCc1cccc(CC)c1c2sc(cc2)C(O)=O; OC(=O)c1c cc(s1)c1c(CC)cccc1CC; CCc1cccc(c1c2ccc(s 2)C(=O)O)CC |
5-(2,6-diethylphenyl)thiophene-2-carboxylic acid |
| 14044 | A1BH3 | 1 | C13 H11 F O2 S | InChI=1S/C13H11FO2S/c1-7- 5-9(14)6-8(2)12(7)10-3-4- 11(17-10)13(15)16/h3-6H,1 -2H3,(H,15,16); PZLFKMNMYAAQNQ-UHFFFAOYSA-N |
Cc1cc(cc(c1c2ccc(s2)C(=O)O)C)F; OC(=O)c1 ccc(s1)c1c(C)cc(F)cc1C; Cc1cc(F)cc(C)c1c 2sc(cc2)C(O)=O |
5-(4-fluoro-2,6-dimethylphenyl)thiophene-2-carboxylic acid |
| 14045 | A1BH4 | 2 | C14 H14 O2 S | InChI=1S/C14H14O2S/c1-3-1 0-6-4-5-9(2)13(10)11-7-8- 12(17-11)14(15)16/h4-8H,3 H2,1-2H3,(H,15,16); UXHSLOJLIJQRFP-UHFFFAOYSA-N |
CCc1cccc(C)c1c2sc(cc2)C(O)=O; OC(=O)c1cc c(s1)c1c(CC)cccc1C; CCc1cccc(c1c2ccc(s2) C(=O)O)C |
(5M)-5-(2-ethyl-6-methylphenyl)thiophene-2-carboxylic acid |
| 14046 | A1BH5 | 1 | C31 H34 F N3 O2 | InChI=1S/C31H34FN3O2/c1-4 -25(37)35-16-31(17-35)9-1 0-34(15-31)29-27(32)26(22 -14-20(36)11-18-7-5-6-8-2 1(18)22)23-12-19-13-24(28 (23)33-29)30(19,2)3/h5-8, 11,14,19,24,36H,4,9-10,12 -13,15-17H2,1-3H3/t19-,24 -/m0/s1; FKASGFOVUQKHQK-CYFREDJKSA-N |
CCC(=O)N1CC2(C1)CCN(C2)c3c(c(c4c(n3)C5CC (C4)C5(C)C)c6cc(cc7c6cccc7)O)F; CCC(=O)N 1CC2(CCN(C2)c3nc4[CH]5C[CH](Cc4c(c3F)c6c c(O)cc7ccccc67)C5(C)C)C1; CCC(=O)N1CC2(C 1)CCN(C2)c3c(c(c4c(n3)[C@@H]5C[C@H](C4)C 5(C)C)c6cc(cc7c6cccc7)O)F; Oc1cc2ccccc2c (c1)c1c2CC3CC(c2nc(N2CCC4(CN(C4)C(=O)CC) C2)c1F)C3(C)C; CCC(=O)N1CC2(CCN(C2)c3nc4 [C@@H]5C[C@H](Cc4c(c3F)c6cc(O)cc7ccccc67 )C5(C)C)C1 |
1-{6-[(4P,6R,8R)-3-fluoro-4-(3-hydroxynaphthalen-1-yl)-7,7-dimethyl-5,6,7,8-tetrahydro-6,8-methanoquinolin-2-yl]-2,6-diazaspiro[3.4]octan-2-yl}propan-1-one |
| 14047 | A1BH6 | 1 | C30 H44 N8 O3 | InChI=1S/C30H44N8O3/c1-5- 26(40)38-19-30(20-38)9-10 -37(18-30)29-34-27(22-7-6 -8-24(16-22)36-11-13-41-1 4-12-36)33-28(35-29)32-23 (15-21(2)3)17-25(39)31-4/ h6-8,16,21,23H,5,9-15,17- 20H2,1-4H3,(H,31,39)(H,32 ,33,34,35)/t23-/m0/s1; DLRWVWTVIJRPNB-QHCPKHFHSA-N |
CCC(=O)N1CC2(C1)CCN(C2)c3nc(nc(n3)NC(CC( C)C)CC(=O)NC)c4cccc(c4)N5CCOCC5; CCC(=O) N1CC2(C1)CCN(C2)c3nc(nc(n3)N[C@@H](CC(C) C)CC(=O)NC)c4cccc(c4)N5CCOCC5; CCC(=O)N1 CC2(CCN(C2)c3nc(N[C@@H](CC(C)C)CC(=O)NC) nc(n3)c4cccc(c4)N5CCOCC5)C1; CCC(=O)N1CC 2(CCN(C2)c3nc(N[CH](CC(C)C)CC(=O)NC)nc(n 3)c4cccc(c4)N5CCOCC5)C1; CNC(=O)CC(CC(C) C)Nc1nc(nc(n1)N1CCC2(CN(C2)C(=O)CC)C1)c1 cc(ccc1)N1CCOCC1 |
(3S)-N,5-dimethyl-3-({4-[3-(morpholin-4-yl)phenyl]-6-(2-propanoyl-2,6-diazaspiro[3.4]octan-6-yl)-1,3,5-triazin-2-yl}amino)hexanamide |
| 14048 | A1BH7 | 2 | C16 H18 N2 O4 | InChI=1S/C16H18N2O4/c1-11 -9-14(18-22-11)16(20)17-1 3-7-3-5-12(10-13)6-4-8-15 (19)21-2/h3,5,7,9-10H,4,6 ,8H2,1-2H3,(H,17,20); QXRDFNLRULOJRX-UHFFFAOYSA-N |
Cc1cc(no1)C(=O)Nc1cc(CCCC(=O)OC)ccc1; Cc 1cc(no1)C(=O)Nc2cccc(c2)CCCC(=O)OC; COC( =O)CCCc1cccc(NC(=O)c2cc(C)on2)c1 |
methyl 4-{3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl}butanoate |
| 14049 | A1BH8 | 2 | C16 H19 N3 O4 S | InChI=1S/C16H19N3O4S/c1-2 -24(22,23)19(12-14-4-3-9- 17-10-14)11-13-5-7-15(8-6 -13)16(20)18-21/h3-10,21H ,2,11-12H2,1H3,(H,18,20); GABRQLARJXNUJD-UHFFFAOYSA-N |
CC[S](=O)(=O)N(Cc1ccc(cc1)C(=O)NO)Cc2ccc nc2; ONC(=O)c1ccc(cc1)CN(Cc1cccnc1)S(=O) (=O)CC; CCS(=O)(=O)N(Cc1ccc(cc1)C(=O)NO) Cc2cccnc2 |
4-({(ethanesulfonyl)[(pyridin-3-yl)methyl]amino}methyl)-N-hydroxybenzamide |
| 14050 | A1BH9 | 2 | C18 H17 N3 O4 S2 | InChI=1S/C18H17N3O4S2/c22 -18(20-23)16-5-3-14(4-6-1 6)11-21(12-15-2-1-8-19-10 -15)27(24,25)17-7-9-26-13 -17/h1-10,13,23H,11-12H2, (H,20,22); PMNUORLLCSPXOC-UHFFFAOYSA-N |
c1cc(cnc1)CN(Cc2ccc(cc2)C(=O)NO)S(=O)(=O )c3ccsc3; O=S(=O)(N(Cc1ccc(cc1)C(=O)NO)C c1cccnc1)c1ccsc1; ONC(=O)c1ccc(CN(Cc2ccc nc2)[S](=O)(=O)c3cscc3)cc1 |
N-hydroxy-4-({[(pyridin-3-yl)methyl](thiophene-3-sulfonyl)amino}methyl)benzamide |
| 14051 | A1BHA CHEMBL5607332 |
1 | C14 H18 N6 O2 | InChI=1S/C14H18N6O2/c1-21 -13-6-11(9-22-12-7-16-10- 17-8-12)18-14(19-13)20-4- 2-15-3-5-20/h6-8,10,15H,2 -5,9H2,1H3; QKQGGPZKCCADEL-UHFFFAOYSA-N |
COc1cc(nc(n1)N2CCNCC2)COc3cncnc3; COc1cc (COc2cncnc2)nc(n1)N3CCNCC3; COc1nc(nc(CO c2cncnc2)c1)N1CCNCC1 |
4-methoxy-2-(piperazin-1-yl)-6-{[(pyrimidin-5-yl)oxy]methyl}pyrimidine |
| 14052 | A1BHB CHEMBL5606809 |
2 | C16 H15 N5 O | InChI=1S/C16H15N5O/c22-16 (12-3-1-5-13-11(12)4-2-6- 18-13)20-14-9-19-21-8-7-1 7-10-15(14)21/h1-6,9,17H, 7-8,10H2,(H,20,22); ALEBBVRGFLOKSV-UHFFFAOYSA-N |
O=C(Nc1cnn2CCNCc12)c3cccc4ncccc34; c1cc( c2cccnc2c1)C(=O)Nc3cnn4c3CNCC4; O=C(Nc1c nn2CCNCc12)c1cccc2ncccc21 |
N-[(8S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]quinoline-5-carboxamide |
| 14053 | A1BHC CHEMBL5599246 |
2 | C21 H28 Cl N3 O3 | InChI=1S/C21H28ClN3O3/c1- 21(2,13-26)24-20(28)15-8- 17(22)10-18(9-15)23-11-14 -5-6-19(27)16(7-14)12-25( 3)4/h5-10,23,26-27H,11-13 H2,1-4H3,(H,24,28); NMZQZQGOPLMGTE-UHFFFAOYSA-N |
Clc1cc(cc(NCc2ccc(O)c(CN(C)C)c2)c1)C(=O) NC(C)(C)CO; CN(C)Cc1cc(CNc2cc(Cl)cc(c2)C (=O)NC(C)(C)CO)ccc1O; CC(C)(CO)NC(=O)c1c c(cc(c1)Cl)NCc2ccc(c(c2)CN(C)C)O |
3-chloro-5-[({3-[(dimethylamino)methyl]-4-hydroxyphenyl}methyl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide |
| 14054 | A1BHF | 1 | C27 H23 F6 N9 O | InChI=1S/C27H23F6N9O/c1-4 0-11-18(27(31,32)33)38-22 (40)16-5-3-14(4-6-16)10-4 1-23-17(42(25(41)34)12-26 (28,29)30)9-35-21(39-23)1 9-20(15-7-8-15)36-13-37-2 4(19)43-2/h3-6,9,11,13,15 ,34H,7-8,10,12H2,1-2H3; NKGSHRLGUQURMS-UHFFFAOYSA-N |
Cn1cc(nc1c2ccc(cc2)CN3c4c(cnc(n4)c5c(ncn c5OC)C6CC6)N(C3=N)CC(F)(F)F)C(F)(F)F; FC (F)(F)c1nc(n(C)c1)c1ccc(cc1)CN1c2nc(ncc2 N(CC(F)(F)F)C1=N)c1c(ncnc1OC)C1CC1; COc1 ncnc(C2CC2)c1c3ncc4N(CC(F)(F)F)C(=N)N(Cc 5ccc(cc5)c6nc(cn6C)C(F)(F)F)c4n3 |
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-9-({4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl}methyl)-7-(2,2,2-trifluoroethyl)-7,9-dihydro-8H-purin-8-imine |
| 14055 | A1BHG | 1 | C18 H21 Cl F N5 O3 S | InChI=1S/C18H21ClFN5O3S/c 1-2-29(27,28)23-15-4-3-13 (11-14(15)20)12-18(26)25- 9-7-24(8-10-25)17-6-5-16( 19)21-22-17/h3-6,11,23H,2 ,7-10,12H2,1H3; HPXFKNAPMISREJ-UHFFFAOYSA-N |
CCS(=O)(=O)Nc1ccc(cc1F)CC(=O)N2CCN(CC2)c 3ccc(nn3)Cl; CC[S](=O)(=O)Nc1ccc(CC(=O)N 2CCN(CC2)c3ccc(Cl)nn3)cc1F; O=C(Cc1ccc(N S(=O)(=O)CC)c(F)c1)N1CCN(CC1)c1ccc(Cl)nn 1 |
N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}-2-fluorophenyl)ethanesulfonamide |
| 14056 | A1BHH | 1 | C18 H22 Cl N5 O3 S | InChI=1S/C18H22ClN5O3S/c1 -2-28(26,27)22-15-5-3-4-1 4(12-15)13-18(25)24-10-8- 23(9-11-24)17-7-6-16(19)2 0-21-17/h3-7,12,22H,2,8-1 1,13H2,1H3; QWBLJAQSBVDGFG-UHFFFAOYSA-N |
CCS(=O)(=O)Nc1cccc(c1)CC(=O)N2CCN(CC2)c3 ccc(nn3)Cl; CC[S](=O)(=O)Nc1cccc(CC(=O)N 2CCN(CC2)c3ccc(Cl)nn3)c1; O=C(Cc1cccc(NS (=O)(=O)CC)c1)N1CCN(CC1)c1ccc(Cl)nn1 |
N-(3-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)ethanesulfonamide |
| 14057 | A1BHL | 8 | C24 H25 Br2 N7 O5 | InChI=1S/C24H25Br2N7O5/c2 5-14-4-5-15-13(9-14)10-16 (20(35)18(15)26)22(36)29- 6-2-1-3-17(34)28-7-8-38-1 2-33-11-30-19-21(33)31-24 (27)32-23(19)37/h4-5,9-11 ,35H,1-3,6-8,12H2,(H,28,3 4)(H,29,36)(H3,27,31,32,3 7); OFCSNXRJBLPABY-UHFFFAOYSA-N |
NC1=Nc2n(COCCNC(=O)CCCCNC(=O)c3cc4cc(Br) ccc4c(Br)c3O)cnc2C(=O)N1; c1cc2c(cc1Br)c c(c(c2Br)O)C(=O)NCCCCC(=O)NCCOCn3cnc4c3N =C(NC4=O)N; Brc1cc2cc(c(O)c(Br)c2cc1)C(= O)NCCCCC(=O)NCCOCn1cnc2c1N=C(N)NC2=O |
N-[5-({2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl}amino)-5-oxopentyl]-4,7-dibromo-3-hydroxynaphthalene-2-carboxamide |
| 14058 | A1BHP | 1 | C22 H22 N6 O S | InChI=1S/C22H22N6OS/c1-14 -13-30-22(24-14)27-21(29) 16-6-4-7-17-19(16)26-20(2 5-17)15-5-2-3-8-18(15)28- 11-9-23-10-12-28/h2-8,13, 23H,9-12H2,1H3,(H,25,26)( H,24,27,29); XFFHSVKASCGESU-UHFFFAOYSA-N |
Cc1csc(NC(=O)c2cccc3[NH]c(nc32)c2ccccc2N 2CCNCC2)n1; Cc1csc(n1)NC(=O)c2cccc3c2nc( [nH]3)c4ccccc4N5CCNCC5; Cc1csc(NC(=O)c2c ccc3[nH]c(nc23)c4ccccc4N5CCNCC5)n1 |
(2M)-N-(4-methyl-1,3-thiazol-2-yl)-2-[2-(piperazin-1-yl)phenyl]-1H-1,3-benzimidazole-4-carboxamide |
| 14059 | A1BHQ | 1 | C22 H21 Cl N6 O S | InChI=1S/C22H21ClN6OS/c1- 13-12-25-22(31-13)28-21(3 0)15-3-2-4-17-19(15)27-20 (26-17)16-11-14(23)5-6-18 (16)29-9-7-24-8-10-29/h2- 6,11-12,24H,7-10H2,1H3,(H ,26,27)(H,25,28,30); SNVTYGYDXCJDLJ-UHFFFAOYSA-N |
Cc1sc(NC(=O)c2cccc3[nH]c(nc23)c4cc(Cl)cc c4N5CCNCC5)nc1; Cc1cnc(s1)NC(=O)c2cccc3c 2nc([nH]3)c4cc(ccc4N5CCNCC5)Cl; Cc1cnc(N C(=O)c2cccc3[NH]c(nc32)c2cc(Cl)ccc2N2CCN CC2)s1 |
(2M)-2-[5-chloro-2-(piperazin-1-yl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)-1H-1,3-benzimidazole-4-carboxamide |
| 14060 | A1BHR | 1 | C29 H29 N5 O2 S | InChI=1S/C29H29N5O2S/c1-1 8-19(2)37-29(31-18)32-27( 35)23-10-5-8-21-17-34(28( 36)25(21)23)24-12-11-20-7 -3-4-9-22(20)26(24)33-15- 6-13-30-14-16-33/h3-5,7-1 2,30H,6,13-17H2,1-2H3,(H, 31,32,35); GXYJKXIGRWIEKQ-UHFFFAOYSA-N |
Cc1c(sc(n1)NC(=O)c2cccc3c2C(=O)N(C3)c4cc c5ccccc5c4N6CCCNCC6)C; Cc1sc(NC(=O)c2ccc c3CN(C(=O)c23)c4ccc5ccccc5c4N6CCCNCC6)nc 1C; Cc1nc(NC(=O)c2cccc3CN(c4ccc5ccccc5c4 N4CCCNCC4)C(=O)c32)sc1C |
2-[1-(1,4-diazepan-1-yl)naphthalen-2-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide |
| 14061 | A1BHT CHEMBL104927 |
2 | C10 H9 Br O4 | InChI=1S/C10H9BrO4/c11-5- 9(12)7-1-3-8(4-2-7)15-6-1 0(13)14/h1-4H,5-6H2,(H,13 ,14); RLSUZPAAQRBGTM-UHFFFAOYSA-N |
c1cc(ccc1C(=O)CBr)OCC(=O)O; BrCC(=O)c1cc c(OCC(=O)O)cc1; OC(=O)COc1ccc(cc1)C(=O)C Br |
[4-(bromoacetyl)phenoxy]acetic acid |
| 14062 | A1BHU | 2 | C32 H44 N2 O8 S | InChI=1S/C32H44N2O8S/c1-2 1(2)18-34(43(37,38)27-13- 10-25(39-4)11-14-27)19-29 (35)28(16-23-8-6-5-7-9-23 )33-31(36)41-30-15-12-26- 17-24-20-40-22(3)32(24,30 )42-26/h5-11,13-14,21-22, 24,26,28-30,35H,12,15-20H 2,1-4H3,(H,33,36)/t22-,24 -,26+,28-,29+,30-,32+/m0/ s1; SQDWXBFUFOFEOW-YZACLJIJSA-N |
COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1 ccccc1)NC(=O)OC1CCC2CC3COC(C)C13O2; C[C@ H]1[C@@]23[C@H](CC[C@@H](O2)C[C@H]3CO1)O C(=O)N[C@@H](Cc4ccccc4)[C@@H](CN(CC(C)C) S(=O)(=O)c5ccc(cc5)OC)O; COc1ccc(cc1)[S] (=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccccc2) NC(=O)O[CH]3CC[CH]4C[CH]5CO[CH](C)[C]35O 4; CC1C23C(CCC(O2)CC3CO1)OC(=O)NC(Cc4ccc cc4)C(CN(CC(C)C)S(=O)(=O)c5ccc(cc5)OC)O; COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[C@@H] (O)[C@H](Cc2ccccc2)NC(=O)O[C@H]3CC[C@@H] 4C[C@H]5CO[C@@H](C)[C@]35O4 |
(3S,3aS,4S,7R,8aS)-3-methylhexahydro-1H,3H-3a,7-epoxycyclohepta[c]furan-4-yl {(2S,3R)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate |
| 14063 | A1BHV | 2 | C32 H44 N2 O8 S | InChI=1S/C32H44N2O8S/c1-2 1(2)18-34(43(37,38)27-13- 10-25(39-4)11-14-27)19-29 (35)28(16-23-8-6-5-7-9-23 )33-31(36)41-30-15-12-26- 17-24-20-40-22(3)32(24,30 )42-26/h5-11,13-14,21-22, 24,26,28-30,35H,12,15-20H 2,1-4H3,(H,33,36)/t22-,24 -,26+,28-,29+,30+,32+/m0/ s1; SQDWXBFUFOFEOW-WWCZDGDGSA-N |
COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1 ccccc1)NC(=O)OC1CCC2CC3COC(C)C13O2; C[C@ H]1[C@@]23[C@@H](CC[C@@H](O2)C[C@H]3CO1) OC(=O)N[C@@H](Cc4ccccc4)[C@@H](CN(CC(C)C )S(=O)(=O)c5ccc(cc5)OC)O; COc1ccc(cc1)[S ](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2ccccc2 )NC(=O)O[CH]3CC[CH]4C[CH]5CO[CH](C)[C]35 O4; CC1C23C(CCC(O2)CC3CO1)OC(=O)NC(Cc4cc ccc4)C(CN(CC(C)C)S(=O)(=O)c5ccc(cc5)OC)O ; COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[C@@H ](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]3CC[C@@ H]4C[C@H]5CO[C@@H](C)[C@]35O4 |
(3S,3aS,4R,7R,8aS)-3-methylhexahydro-1H,3H-3a,7-epoxycyclohepta[c]furan-4-yl {(2S,3R)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate |
| 14064 | A1BHW | 3 | C19 H23 N3 O4 S | InChI=1S/C19H23N3O4S/c23- 19(21-24)17-9-7-15(8-10-1 7)13-22(14-16-4-3-11-20-1 2-16)27(25,26)18-5-1-2-6- 18/h3-4,7-12,18,24H,1-2,5 -6,13-14H2,(H,21,23); MTXDCVUXDVFVEJ-UHFFFAOYSA-N |
ONC(=O)c1ccc(cc1)CN(Cc1cccnc1)S(=O)(=O)C 1CCCC1; c1cc(cnc1)CN(Cc2ccc(cc2)C(=O)NO) S(=O)(=O)C3CCCC3; ONC(=O)c1ccc(CN(Cc2ccc nc2)[S](=O)(=O)C3CCCC3)cc1 |
4-({(cyclopentanesulfonyl)[(pyridin-3-yl)methyl]amino}methyl)-N-hydroxybenzamide |
| 14065 | A1BHX | 2 | C17 H21 N3 O4 S | InChI=1S/C17H21N3O4S/c1-1 3(2)25(23,24)20(12-15-4-3 -9-18-10-15)11-14-5-7-16( 8-6-14)17(21)19-22/h3-10, 13,22H,11-12H2,1-2H3,(H,1 9,21); OZRDXVNIVDGPHS-UHFFFAOYSA-N |
CC(C)S(=O)(=O)N(Cc1ccc(cc1)C(=O)NO)Cc2cc cnc2; ONC(=O)c1ccc(cc1)CN(Cc1cccnc1)S(=O )(=O)C(C)C; CC(C)[S](=O)(=O)N(Cc1ccc(cc1 )C(=O)NO)Cc2cccnc2 |
N-hydroxy-4-({(propane-2-sulfonyl)[(pyridin-3-yl)methyl]amino}methyl)benzamide |
| 14066 | A1BHY | 2 | C15 H17 N3 O4 S | InChI=1S/C15H17N3O4S/c1-2 3(21,22)18(11-13-3-2-8-16 -9-13)10-12-4-6-14(7-5-12 )15(19)17-20/h2-9,20H,10- 11H2,1H3,(H,17,19); BDVZKWUCVMLCDN-UHFFFAOYSA-N |
CS(=O)(=O)N(Cc1ccc(cc1)C(=O)NO)Cc2cccnc2 ; C[S](=O)(=O)N(Cc1ccc(cc1)C(=O)NO)Cc2cc cnc2; ONC(=O)c1ccc(cc1)CN(Cc1cccnc1)S(C) (=O)=O |
N-hydroxy-4-({(methanesulfonyl)[(pyridin-3-yl)methyl]amino}methyl)benzamide |
| 14067 | A1BHZ | 2 | C5 H7 O8 P | InChI=1S/C5H7O8P/c6-3(7)1 -2(4(8)9)5(10)14(11,12)13 /h1,5,10H,(H,6,7)(H,8,9)( H2,11,12,13)/b2-1+/t5-/m1 /s1; HGGAWKPCOKYWSX-INIHDHCDSA-N |
OC(=O)\C(=C/C(=O)O)C(O)P(=O)(O)O; C(=C(C (O)P(=O)(O)O)C(=O)O)C(=O)O; C(=C(/[C@H]( O)P(=O)(O)O)\C(=O)O)\C(=O)O; O[CH](C(=CC (O)=O)C(O)=O)[P](O)(O)=O; O[C@@H](C(=C/C (O)=O)/C(O)=O)[P](O)(O)=O |
(R)-pantaphos; (2E)-2-[(R)-hydroxy(phosphono)methyl]but-2-enedioic acid |
| 14068 | A1BI0 | 5 | C29 H30 N8 O2 | InChI=1S/C29H30N8O2/c30-2 6-24-25(18-5-7-19(8-6-18) 28(38)34-23-14-21(11-12-3 1-23)17-3-4-17)35-37(27(2 4)33-16-32-26)22-2-1-13-3 6(15-22)29(39)20-9-10-20/ h5-8,11-12,14,16-17,20,22 H,1-4,9-10,13,15H2,(H2,30 ,32,33)(H,31,34,38)/t22-/ m1/s1; CTJGTZNFLORRFT-JOCHJYFZSA-N |
O=C(Nc1cc(ccn1)C1CC1)c1ccc(cc1)c1nn(c2nc nc(N)c21)C1CCCN(C1)C(=O)C1CC1; Nc1ncnc2n (nc(c3ccc(cc3)C(=O)Nc4cc(ccn4)C5CC5)c12) [CH]6CCCN(C6)C(=O)C7CC7; c1cc(ccc1c2c3c( ncnc3n(n2)C4CCCN(C4)C(=O)C5CC5)N)C(=O)Nc 6cc(ccn6)C7CC7; Nc1ncnc2n(nc(c3ccc(cc3)C (=O)Nc4cc(ccn4)C5CC5)c12)[C@@H]6CCCN(C6) C(=O)C7CC7; c1cc(ccc1c2c3c(ncnc3n(n2)[C@ @H]4CCCN(C4)C(=O)C5CC5)N)C(=O)Nc6cc(ccn6 )C7CC7 |
4-{4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-(4-cyclopropylpyridin-2-yl)benzamide |
| 14069 | A1BI1 CHEMBL3746490 |
1 | C26 H26 N6 O2 | InChI=1S/C26H26N6O2/c27-2 4-22-23(17-10-12-21(13-11 -17)34-20-6-2-1-3-7-20)30 -32(25(22)29-16-28-24)19- 5-4-14-31(15-19)26(33)18- 8-9-18/h1-3,6-7,10-13,16, 18-19H,4-5,8-9,14-15H2,(H 2,27,28,29)/t19-/m1/s1; GMAYFNOHSBTWNT-LJQANCHMSA-N |
Nc1ncnc2n(nc(c3ccc(Oc4ccccc4)cc3)c12)[CH ]5CCCN(C5)C(=O)C6CC6; O=C(C1CC1)N1CCCC(C 1)n1nc(c2c(N)ncnc21)c1ccc(Oc2ccccc2)cc1; Nc1ncnc2n(nc(c3ccc(Oc4ccccc4)cc3)c12)[C @@H]5CCCN(C5)C(=O)C6CC6; c1ccc(cc1)Oc2cc c(cc2)c3c4c(ncnc4n(n3)C5CCCN(C5)C(=O)C6C C6)N; c1ccc(cc1)Oc2ccc(cc2)c3c4c(ncnc4n( n3)[C@@H]5CCCN(C5)C(=O)C6CC6)N |
{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}(cyclopropyl)methanone |
| 14070 | A1BI3 | 1 | C15 H14 N2 O5 S | InChI=1S/C15H14N2O5S/c18- 15(14-6-5-10-3-1-2-4-13(1 0)14)17-11-7-12(9-16-8-11 )22-23(19,20)21/h1-4,7-9, 14H,5-6H2,(H,17,18)(H,19, 20,21)/t14-/m1/s1; UUXBXVVEARPXOI-CQSZACIVSA-N |
c1ccc2c(c1)CCC2C(=O)Nc3cc(cnc3)OS(=O)(=O )O; O[S](=O)(=O)Oc1cncc(NC(=O)[C@@H]2CCc 3ccccc23)c1; c1ccc2c(c1)CC[C@H]2C(=O)Nc3 cc(cnc3)OS(=O)(=O)O; O[S](=O)(=O)Oc1cncc (NC(=O)[CH]2CCc3ccccc23)c1; OS(=O)(=O)Oc 1cc(cnc1)NC(=O)C1CCc2ccccc21 |
(1R)-N-{5-[(dihydroxy-lambda~4~-sulfanyl)oxy]pyridin-3-yl}-2,3-dihydro-1H-indene-1-carboxamide |
| 14071 | A1BI4 | 1 | C40 H46 N12 O17 P2 S | InChI=1S/C40H46N12O17P2S/ c1-17-9-23-24(10-18(17)2) 51(36-40(48-23,37(60)47-3 8(61)46-36)22(7-8-53)20-5 -4-6-21(11-20)34(59)45-39 -50-49-19(3)72-39)12-25(5 4)29(56)26(55)13-66-70(62 ,63)69-71(64,65)67-14-27- 30(57)31(58)35(68-27)52-1 6-44-28-32(41)42-15-43-33 (28)52/h4-6,8-11,15-16,22 ,25-27,29-31,35,48,54-58H ,7,12-14H2,1-3H3,(H,62,63 )(H,64,65)(H2,41,42,43)(H ,45,50,59)(H,47,60,61)/t2 2-,25-,26+,27-,29+,30-,31 -,35-,40+/m1/s1; AJCBKBGGVWBYEO-IRVXYPAQSA-N |
Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3(N2)C(CC =O)c4cccc(c4)C(=O)Nc5nnc(s5)C)CC(C(C(COP (=O)(O)OP(=O)(O)OCC6C(C(C(O6)n7cnc8c7ncn c8N)O)O)O)O)O; Cc1cc2c(cc1C)N(C3=NC(=O)N C(=O)[C@]3(N2)[C@H](CC=O)c4cccc(c4)C(=O) Nc5nnc(s5)C)C[C@H]([C@@H]([C@H](COP(=O)( O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O 6)n7cnc8c7ncnc8N)O)O)O)O)O; Cc1nnc(NC(=O )c2cccc(c2)C(CC=O)C23Nc4cc(C)c(C)cc4N(CC (O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC4OC(n5c nc6c(N)ncnc65)C(O)C4O)C3=NC(=O)NC2=O)s1; Cc1sc(NC(=O)c2cccc(c2)[CH](CC=O)[C]34Nc 5cc(C)c(C)cc5N(C[CH](O)[CH](O)[CH](O)CO[ P](O)(=O)O[P](O)(=O)OC[CH]6O[CH]([CH](O) [CH]6O)n7cnc8c(N)ncnc78)C3=NC(=O)NC4=O)n n1; Cc1sc(NC(=O)c2cccc(c2)[C@@H](CC=O)[C @]34Nc5cc(C)c(C)cc5N(C[C@@H](O)[C@H](O)[ C@@H](O)CO[P](O)(=O)O[P](O)(=O)OC[C@H]6O [C@H]([C@H](O)[C@@H]6O)n7cnc8c(N)ncnc78) C3=NC(=O)NC4=O)nn1 |
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3S,4R)-5-[(4aS)-7,8-dimethyl-4a-[(1R)-1-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}-3-oxopropyl]-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) |
| 14072 | A1BI5 | 2 | C14 H12 N4 O | InChI=1S/C14H12N4O/c1-9-6 -11-7-10(2-3-13(11)19-9)1 2-4-5-15-14-16-8-17-18(12 )14/h2-5,7-9H,6H2,1H3/t9- /m0/s1; BPKWKBIVZRWWQO-VIFPVBQESA-N |
C[C@H]1Cc2cc(ccc2O1)c3ccnc4n3ncn4; C[CH] 1Cc2cc(ccc2O1)c3ccnc4ncnn34; C[C@H]1Cc2c c(ccc2O1)c3ccnc4ncnn34; CC1Cc2cc(ccc2O1) c3ccnc4n3ncn4; CC1Cc2cc(ccc2O1)c1ccnc2nc nn21 |
(7P,8S)-7-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl][1,2,4]triazolo[1,5-a]pyrimidine |
| 14073 | A1BI6 | 19 | C14 H13 Cl2 N O | InChI=1S/C14H13Cl2NO/c15- 9-2-1-3-10(16)12(9)13-11- 7-4-5-8(6-7)14(11)18-17-1 3/h1-3,7-8,11,14H,4-6H2/t 7-,8+,11-,14-/m0/s1; NBXVMFMMTKYFQP-CHKXNQEOSA-N |
Clc1cccc(Cl)c1C2=NO[CH]3[CH]4CC[CH](C4)[ CH]23; c1cc(c(c(c1)Cl)C2=NO[C@@H]3[C@H]2 [C@H]4CC[C@@H]3C4)Cl; Clc1cccc(Cl)c1C2=N O[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]23; Clc1 cccc(Cl)c1C1=NOC2C3CC(CC3)C21; c1cc(c(c( c1)Cl)C2=NOC3C2C4CCC3C4)Cl |
(3aS,4S,7R,7aS)-3-(2,6-dichlorophenyl)-3a,4,5,6,7,7a-hexahydro-4,7-methano-1,2-benzoxazole |
| 14074 | A1BI7 | 0 | C75 H96 Co N13 O16 P | InChI=1S/C62H90N13O14P.C1 3H7O2.Co/c1-29-20-39-40(2 1-30(29)2)75(28-70-39)57- 52(84)53(41(27-76)87-57)8 9-90(85,86)88-31(3)26-69- 49(83)18-19-59(8)37(22-46 (66)80)56-62(11)61(10,25- 48(68)82)36(14-17-45(65)7 9)51(74-62)33(5)55-60(9,2 4-47(67)81)34(12-15-43(63 )77)38(71-55)23-42-58(6,7 )35(13-16-44(64)78)50(72- 42)32(4)54(59)73-56;1-2-1 3(14)15-12-8-7-10-5-3-4-6 -11(10)9-12;/h20-21,23,28 ,31,34-37,41,52-53,56-57, 76,84H,12-19,22,24-27H2,1 -11H3,(H15,63,64,65,66,67 ,68,69,71,72,73,74,77,78, 79,80,81,82,83,85,86);3-9 H;/q;;+4/p-1/t31-,34-,35- ,36-,37+,41-,52-,53-,56-, 57+,59-,60+,61+,62+;;/m1. ./s1; GFMYGTVSOVHBQP-WZHZPDAFSA-M |
Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)( O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=C(C8=[N +]9C(=CC1=[N+]2[Co]9(N76)([N+]5=C4C(=C2C (C1(C)C)CCC(=O)N)C)C#CC(=O)Oc1ccc2ccccc2 c1)C(C8(C)CC(=O)N)CCC(=O)N)C)CCC(=O)N)(C )CC(=O)N)C)CC(=O)N)C)O; C[CH](CNC(=O)CC[ C]1(C)[CH](CC(N)=O)[CH]2[N+]3=C1C(=C4[CH ](CCC(N)=O)C(C)(C)C5=[N+]4[Co]36(C#CC(=O )Oc7ccc8ccccc8c7)[N]9C(=C(C)C%10=[N+]6C( =C5)[CH](CCC(N)=O)[C]%10(C)CC(N)=O)[CH]( CCC(N)=O)[C](C)(CC(N)=O)[C]29C)C)O[P](O) (=O)O[CH]%11[CH](O)[CH](O[CH]%11CO)n%12c nc%13cc(C)c(C)cc%12%13; Cc1cc2c(cc1C)n(c n2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(= O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@@ H]5[C@]6([C@@]([C@@H](C7=C(C8=[N+]9C(=CC 1=[N+]2[Co]9(N76)([N+]5=C4C(=C2[C@H](C1( C)C)CCC(=O)N)C)C#CC(=O)Oc1ccc2ccccc2c1)[ C@H]([C@]8(C)CC(=O)N)CCC(=O)N)C)CCC(=O)N )(C)CC(=O)N)C)CC(=O)N)C)O; C[C@H](CNC(=O )CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2[N@@+]3= C1C(=C4[C@@H](CCC(N)=O)C(C)(C)C5=[N@+]4[ Co]36(C#CC(=O)Oc7ccc8ccccc8c7)[N@@]9C(=C (C)C%10=[N@+]6C(=C5)[C@@H](CCC(N)=O)[C@] %10(C)CC(N)=O)[C@@H](CCC(N)=O)[C@](C)(CC (N)=O)[C@]29C)C)O[P](O)(=O)O[C@H]%11[C@@ H](O)[C@H](O[C@@H]%11CO)n%12cnc%13cc(C)c (C)cc%12%13 |
naphthalen-2-yl 3-[(3~{R},4~{R},5~{R},9~{S},14~{S},15~{S},19~{S},20~{S},21~{R})-4,15,20-tris(2-azanyl-2-oxidanylidene-ethyl)-9,14,19-tris(3-azanyl-3-oxidanylidene-propyl)-5-[3-[[(2~{R})-2-[[(2~{R},3~{S},4~{R},5~{S})-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxypropyl]amino]-3-oxidanylidene-propyl]-5,7,10,10,15,17,20,21-octamethyl-22-aza-2,23,24-triazonia-1$l^{5}-cobaltaoctacyclo[11.9.1.1^{1,8}.0^{2,6}.0^{3,21}.0^{16,23}.0^{18,22}.0^{11,24}]tetracosa-2(6),7,11(24),12,16(23),17-hexaen-1-yl]prop-2-ynoate |
| 14075 | A1BI8 | 1 | C29 H29 Cl N2 O5 | InChI=1S/C29H29ClN2O5/c1- 17-12-20(36-16-21-15-32(3 )24-6-4-5-7-25(24)37-21)1 3-18(2)26(17)27(33)31-19- 8-9-23(30)22(14-19)29(10- 11-29)28(34)35/h4-9,12-14 ,21H,10-11,15-16H2,1-3H3, (H,31,33)(H,34,35)/t21-/m 0/s1; SFYMNHDVJCEATP-NRFANRHFSA-N |
CN1C[C@@H](COc2cc(C)c(c(C)c2)C(=O)Nc3ccc (Cl)c(c3)C4(CC4)C(O)=O)Oc5ccccc15; O=C(O )C1(CC1)c1cc(ccc1Cl)NC(=O)c1c(C)cc(cc1C) OCC1CN(C)c2ccccc2O1; Cc1cc(cc(c1C(=O)Nc2 ccc(c(c2)C3(CC3)C(=O)O)Cl)C)OCC4CN(c5ccc cc5O4)C; Cc1cc(cc(c1C(=O)Nc2ccc(c(c2)C3( CC3)C(=O)O)Cl)C)OC[C@@H]4CN(c5ccccc5O4)C ; CN1C[CH](COc2cc(C)c(c(C)c2)C(=O)Nc3ccc (Cl)c(c3)C4(CC4)C(O)=O)Oc5ccccc15 |
1-[2-chloro-5-(2,6-dimethyl-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methoxy}benzamido)phenyl]cyclopropane-1-carboxylic acid |
| 14076 | A1BIA | 6 | C27 H38 N6 O2 S | InChI=1S/C27H38N6O2S/c34- 25(11-2-1-10-24-26-23(20- 36-24)31-27(35)32-26)30-1 6-7-17-33(18-12-21-8-3-5- 14-28-21)19-13-22-9-4-6-1 5-29-22/h3-6,8-9,14-15,23 -24,26H,1-2,7,10-13,16-20 H2,(H,30,34)(H2,31,32,35) /t23-,24-,26-/m1/s1; UQOFISLZDAPJQV-DGWZTRNLSA-N |
c1ccnc(c1)CCN(CCCNC(=O)CCCCC2C3C(CS2)NC( =O)N3)CCc4ccccn4; O=C(CCCC[CH]1SC[CH]2NC (=O)N[CH]12)NCCCN(CCc3ccccn3)CCc4ccccn4; O=C1NC2C(CCCCC(=O)NCCCN(CCc3ccccn3)CCc3 ccccn3)SCC2N1; c1ccnc(c1)CCN(CCCNC(=O)CC CC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)CCc4cc ccn4; O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@ H]12)NCCCN(CCc3ccccn3)CCc4ccccn4 |
N-(3-{bis[2-(pyridin-2-yl)ethyl]amino}propyl)-5-[(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide |
| 14077 | A1BIE | 0 | C10 H18 N2 O3 | InChI=1S/C10H18N2O3/c1-7( 2)9(13)12-6-4-3-5-8(11)10 (14)15/h8H,1,3-6,11H2,2H3 ,(H,12,13)(H,14,15)/t8-/m 0/s1; SLDBQSXUDRDNOV-QMMMGPOBSA-N |
NC(CCCCNC(=O)C(=C)C)C(=O)O; CC(=C)C(=O)N CCCC[C@@H](C(=O)O)N; CC(=C)C(=O)NCCCC[CH ](N)C(O)=O; CC(=C)C(=O)NCCCC[C@H](N)C(O) =O; CC(=C)C(=O)NCCCCC(C(=O)O)N |
N~6~-(2-methylprop-2-enoyl)-L-lysine |
| 14078 | A1BIG | 1 | C30 H49 N3 O6 S | InChI=1S/C30H49N3O6S/c1-2 1(2)9-6-10-22(3)11-7-12-2 3(4)13-8-14-24(5)17-18-40 -20-26(29(37)32-19-28(35) 36)33-27(34)16-15-25(31)3 0(38)39/h9,11,13,17,25-26 H,6-8,10,12,14-16,18-20,3 1H2,1-5H3,(H,32,37)(H,33, 34)(H,35,36)(H,38,39)/b22 -11+,23-13+,24-17-/t25-,2 6-/m0/s1; BAJIBEVLRWVBAZ-WKALPULASA-N |
CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CSC[C@@H](C (=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)/C) /C)/C)C; O=C(NC(CSC\C=C(\C)CC\C=C(/C)CC\ C=C(/C)CC\C=C(/C)C)C(=O)NCC(=O)O)CCC(N)C (=O)O; CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C )=C/CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O )NCC(O)=O; CC(C)=CCCC(C)=CCCC(C)=CCCC(C) =CCSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC (O)=O; CC(=CCCC(=CCCC(=CCCC(=CCSCC(C(=O) NCC(=O)O)NC(=O)CCC(C(=O)O)N)C)C)C)C |
L-gamma-glutamyl-S-[(2Z,6E)-3,7,15-trimethyl-11-methylidenehexadeca-2,6,14-trien-1-yl]-L-cysteinylglycine; S-Geranylgeranyl-L-glutathione |
| 14079 | A1BIH | 14 | C14 H28 N2 O3 | InChI=1S/C14H28N2O3/c1-2- 3-4-5-6-10-13(17)16-12(14 (18)19)9-7-8-11-15/h12H,2 -11,15H2,1H3,(H,16,17)(H, 18,19)/t12-/m0/s1; GGCVGFFRMZLQBP-LBPRGKRZSA-N |
CCCCCCCC(=O)N[CH](CCCCN)C(O)=O; O=C(NC(C CCCN)C(=O)O)CCCCCCC; CCCCCCCC(=O)NC(CCCC N)C(=O)O; CCCCCCCC(=O)N[C@@H](CCCCN)C(O) =O; CCCCCCCC(=O)N[C@@H](CCCCN)C(=O)O |
N~2~-octanoyl-L-lysine |
| 14080 | A1BII CHEMBL4439336 |
1 | C23 H24 F N5 O6 S | InChI=1S/C23H24FN5O6S/c1- 3-11-29-22(31)19-20(26-18 -14-16(35-2)9-13-27(18)19 )28(23(29)32)12-4-10-25-2 1(30)15-5-7-17(8-6-15)36( 24,33)34/h5-9,13-14H,3-4, 10-12H2,1-2H3,(H,25,30); QNCALQNHCSHYFR-UHFFFAOYSA-N |
CCCN1C(=O)N(CCCNC(=O)c2ccc(cc2)[S](F)(=O )=O)c3nc4cc(OC)ccn4c3C1=O; FS(=O)(=O)c1c cc(cc1)C(=O)NCCCN1c2nc3cc(ccn3c2C(=O)N(C CC)C1=O)OC; CCCN1C(=O)c2c(nc3n2ccc(c3)OC )N(C1=O)CCCNC(=O)c4ccc(cc4)S(=O)(=O)F |
LUF7602 |
| 14081 | A1BIJ CHEMBL15193 |
2 | C15 H14 O3 | InChI=1S/C15H14O3/c1-9(2) 7-8-12-13(16)10-5-3-4-6-1 1(10)14(17)15(12)18/h3-7, 18H,8H2,1-2H3; CIEYTVIYYGTCCI-UHFFFAOYSA-N |
CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O; CC(=CC C1=C(C(=O)c2ccccc2C1=O)O)C; C/C(C)=C\CC= 1C(=O)c2ccccc2C(=O)C=1O |
2-hydroxy-3-(3-methylbut-2-en-1-yl)naphthalene-1,4-dione |
| 14082 | A1BIK | 1 | C12 H16 N3 O11 P | InChI=1S/C12H16N3O11P/c13 -4-5(17)7(11(18)19)24-8-6 (4)25-10(9(8)26-27(21,22) 23)15-2-1-3(16)14-12(15)2 0/h1-2,4-10,17H,13H2,(H,1 8,19)(H,14,16,20)(H2,21,2 2,23)/t4-,5-,6-,7+,8-,9-, 10-/m1/s1; WKDVCFXFVRNMOM-OLYSFKJBSA-N |
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]3[C@H ](O2)[C@@H]([C@H]([C@H](O3)C(=O)O)O)N)OP (=O)(O)O; N[C@@H]1[C@@H](O)[C@H](O[C@@H] 2[C@@H]1O[C@H]([C@@H]2O[P](O)(O)=O)N3C=C C(=O)NC3=O)C(O)=O; N[CH]1[CH](O)[CH](O[C H]2[CH]1O[CH]([CH]2O[P](O)(O)=O)N3C=CC(= O)NC3=O)C(O)=O; O=C(O)C1OC2C(OC(C2OP(=O) (O)O)N2C=CC(=O)NC2=O)C(N)C1O; C1=CN(C(=O )NC1=O)C2C(C3C(O2)C(C(C(O3)C(=O)O)O)N)OP (=O)(O)O |
1-(5-amino-3,7-anhydro-5-deoxy-2-O-phosphono-D-threo-beta-D-allo-octofuranuronosyl)pyrimidine-2,4(1H,3H)-dione |
| 14083 | A1BIL | 1 | C27 H27 Cl N2 O5 | InChI=1S/C27H27ClN2O5/c1- 16-10-20(34-15-21-14-30(3 )23-6-4-5-7-24(23)35-21)1 1-17(2)26(16)27(33)29-19- 8-9-22(28)18(12-19)13-25( 31)32/h4-12,21H,13-15H2,1 -3H3,(H,29,33)(H,31,32)/t 21-/m0/s1; KHJQYLXBPSJLGG-NRFANRHFSA-N |
Cc1cc(cc(c1C(=O)Nc2ccc(c(c2)CC(=O)O)Cl)C )OCC3CN(c4ccccc4O3)C; CN1C[CH](COc2cc(C) c(c(C)c2)C(=O)Nc3ccc(Cl)c(CC(O)=O)c3)Oc4 ccccc14; CN1C[C@@H](COc2cc(C)c(c(C)c2)C( =O)Nc3ccc(Cl)c(CC(O)=O)c3)Oc4ccccc14; Cc 1cc(cc(c1C(=O)Nc2ccc(c(c2)CC(=O)O)Cl)C)O C[C@@H]3CN(c4ccccc4O3)C; O=C(O)Cc1cc(ccc 1Cl)NC(=O)c1c(C)cc(cc1C)OCC1CN(C)c2ccccc 2O1 |
[2-chloro-5-(2,6-dimethyl-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methoxy}benzamido)phenyl]acetic acid; ONO-2550289 |
| 14084 | A1BIM | 2 | C17 H19 N5 O8 S2 | InChI=1S/C17H19N5O8S2/c1- 6-4-31-12(21-8(6)13(24)25 )10(14(26)27)20-11(23)9(7 -5-32-16(18)19-7)22-30-17 (2,3)15(28)29/h5,10,12H,1 ,4H2,2-3H3,(H2,18,19)(H,2 0,23)(H,24,25)(H,26,27)(H ,28,29)/b22-9-/t10-,12+/m 0/s1; LORMEESTXGATOD-DGLGDVFNSA-N |
CC(C)(ON=C(C(=O)N[CH]([CH]1SCC(=C)C(=N1) C(O)=O)C(O)=O)c2csc(N)n2)C(O)=O; CC(C)(C (=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@@H]([C @@H]2N=C(C(=C)CS2)C(=O)O)C(=O)O; CC(C)(C (=O)O)ON=C(c1csc(n1)N)C(=O)NC(C2N=C(C(=C )CS2)C(=O)O)C(=O)O; CC(C)(O\N=C(/C(=O)N[ C@@H]([C@H]1SCC(=C)C(=N1)C(O)=O)C(O)=O)c 2csc(N)n2)C(O)=O; OC(=O)C1=NC(SCC1=C)C(N C(=O)C(=N\OC(C)(C)C(=O)O)/c1csc(N)n1)C(= O)O |
(2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid; hydrolyzed ceftazidime without pyridine ring |
| 14085 | A1BIN CHEMBL518917 |
1 | C18 H11 F2 N3 | InChI=1S/C18H11F2N3/c19-1 4-3-1-13(2-4-14)18-17(12- 7-9-21-10-8-12)16-6-5-15( 20)11-23(16)22-18/h1-11H; GUFYXIGRLFFABU-UHFFFAOYSA-N |
c1cc(ccc1c2c(c3ccc(cn3n2)F)c4ccncc4)F; F c1ccc(cc1)c1nn2cc(F)ccc2c1c1ccncc1; Fc1c cc(cc1)c2nn3cc(F)ccc3c2c4ccncc4 |
6-fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine |
| 14086 | A1BIO CHEMBL488183 |
1 | C19 H11 F N4 | InChI=1S/C19H11FN4/c20-16 -4-2-15(3-5-16)19-18(14-7 -9-22-10-8-14)17-6-1-13(1 1-21)12-24(17)23-19/h1-10 ,12H; LQQPWBQKAOPXPO-UHFFFAOYSA-N |
Fc1ccc(cc1)c1nn2cc(ccc2c1c1ccncc1)C#N; c 1cc(ccc1c2c(c3ccc(cn3n2)C#N)c4ccncc4)F; Fc1ccc(cc1)c2nn3cc(ccc3c2c4ccncc4)C#N |
2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine-6-carbonitrile |
| 14087 | A1BIP | 1 | C18 H11 F2 N3 | InChI=1S/C18H11F2N3/c19-1 4-3-1-12(2-4-14)17-18(13- 5-8-21-9-6-13)23-10-7-15( 20)11-16(23)22-17/h1-11H; JNYOBIJMALSMIZ-UHFFFAOYSA-N |
c1cc(ccc1c2c(n3ccc(cc3n2)F)c4ccncc4)F; F c1ccc(cc1)c2nc3cc(F)ccn3c2c4ccncc4; Fc1c cc(cc1)c1nc2cc(F)ccn2c1c1ccncc1 |
7-fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)imidazo[1,2-a]pyridine |
| 14088 | A1BIQ | 1 | C19 H11 F N4 | InChI=1S/C19H11FN4/c20-16 -3-1-14(2-4-16)18-19(15-5 -8-22-9-6-15)24-10-7-13(1 2-21)11-17(24)23-18/h1-11 H; LLQLNAJIXQGXFP-UHFFFAOYSA-N |
c1cc(ccc1c2c(n3ccc(cc3n2)C#N)c4ccncc4)F; Fc1ccc(cc1)c2nc3cc(ccn3c2c4ccncc4)C#N; Fc1ccc(cc1)c1nc2cc(ccn2c1c1ccncc1)C#N |
2-(4-fluorophenyl)-3-(pyridin-4-yl)imidazo[1,2-a]pyridine-7-carbonitrile |
| 14089 | A1BIR | 2 | C17 H16 Cl N O | InChI=1S/C17H16ClNO/c1-19 -9-14-12-4-2-3-5-16(12)20 -17-7-6-11(18)8-13(17)15( 14)10-19/h2-8,14-15H,9-10 H2,1H3/t14-,15+/m0/s1; VSWBSWWIRNCQIJ-LSDHHAIUSA-N |
CN1C[C@H]2c3ccccc3Oc4ccc(cc4[C@H]2C1)Cl; Clc1cc2C3CN(C)CC3c3ccccc3Oc2cc1; CN1CC2 c3ccccc3Oc4ccc(cc4C2C1)Cl; CN1C[CH]2[CH] (C1)c3cc(Cl)ccc3Oc4ccccc24; CN1C[C@@H]2[ C@H](C1)c3cc(Cl)ccc3Oc4ccccc24 |
(3aS,12bR)-asenapine; (3aS,12bR)-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole |
| 14090 | A1BIS | 1 | C24 H24 Cl F I N5 O5 S | InChI=1S/C24H24ClFIN5O5S/ c1-12-21(37-18-6-4-5-17(2 0(18)25)31-38(35,36)28-2) 19(23(33)29-14-8-9-14)22( 32(3)24(12)34)30-16-10-7- 13(27)11-15(16)26/h4-7,10 -11,14,28,30-31H,8-9H2,1- 3H3,(H,29,33); RDFUWPLPCIAPFU-UHFFFAOYSA-N |
CC1=C(Oc2cccc(NS(=O)(=O)NC)c2Cl)C(=C(Nc2 ccc(I)cc2F)N(C)C1=O)C(=O)NC1CC1; CC1=C(C (=C(N(C1=O)C)Nc2ccc(cc2F)I)C(=O)NC3CC3)O c4cccc(c4Cl)NS(=O)(=O)NC; CN[S](=O)(=O)N c1cccc(OC2=C(C)C(=O)N(C)C(=C2C(=O)NC3CC3 )Nc4ccc(I)cc4F)c1Cl |
4-[2-chloro-3-(methylsulfamamido)phenoxy]-N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide; IK-595 |
| 14091 | A1BIT | 0 | C9 H17 N O2 | InChI=1S/C9H17NO2/c1-6(2) 7-4-3-5-10-8(7)9(11)12/h6 -8,10H,3-5H2,1-2H3,(H,11, 12)/t7-,8+/m0/s1; XJAJQWLAFOERLR-JGVFFNPUSA-N |
CC(C)[C@@H]1CCCN[C@H]1C(=O)O; CC(C)[C@@H ]1CCCN[C@H]1C(O)=O; CC(C)C1CCCNC1C(=O)O; CC(C)[CH]1CCCN[CH]1C(O)=O |
(2R,3S)-3-(propan-2-yl)piperidine-2-carboxylic acid |
| 14092 | A1BIU | 0 | C8 H8 Cl N O2 | InChI=1S/C8H8ClNO2/c9-6-3 -1-5(2-4-6)7(10)8(11)12/h 1-4,7H,10H2,(H,11,12)/t7- /m0/s1; QGJGBYXRJVIYGA-ZETCQYMHSA-N |
N[CH](C(O)=O)c1ccc(Cl)cc1; N[C@H](C(O)=O )c1ccc(Cl)cc1; NC(c1ccc(Cl)cc1)C(=O)O; c 1cc(ccc1[C@@H](C(=O)O)N)Cl; c1cc(ccc1C(C (=O)O)N)Cl |
(2S)-amino(4-chlorophenyl)acetic acid |
| 14093 | A1BIV | 1 | C22 H17 Cl N4 O3 | InChI=1S/C22H17ClN4O3/c1- 26-14-6-4-3-5-13(14)15(21 (26)29)16-17-19(27(2)22(3 0)25-20(17)28)24-18(16)11 -7-9-12(23)10-8-11/h3-10, 15,24H,1-2H3,(H,25,28,30) /t15-/m0/s1; AHQASKURDHESBQ-HNNXBMFYSA-N |
CN1c2ccccc2C(C1=O)c3c4c([nH]c3c5ccc(cc5) Cl)N(C(=O)NC4=O)C; CN1c2ccccc2[C@H](C1=O )c3c4c([nH]c3c5ccc(cc5)Cl)N(C(=O)NC4=O)C ; CN1C(=O)NC(=O)c2c1[nH]c(c3ccc(Cl)cc3)c 2[C@H]4C(=O)N(C)c5ccccc45; CN1C(=O)NC(=O )c2c1[nH]c(c3ccc(Cl)cc3)c2[CH]4C(=O)N(C) c5ccccc45; Clc1ccc(cc1)c1[NH]c2c(C(=O)NC (=O)N2C)c1C1c2ccccc2N(C)C1=O |
6-(4-chlorophenyl)-1-methyl-5-[(3S)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione |
| 14094 | A1BIW | 1 | C19 H17 N3 O4 S | InChI=1S/C19H17N3O4S/c23- 18-11-20-16-10-12(7-8-15( 16)21-18)19(24)22-14-5-3- 9-27(25,26)17-6-2-1-4-13( 14)17/h1-2,4,6-8,10-11,14 H,3,5,9H2,(H,21,23)(H,22, 24)/t14-/m1/s1; DYZHGISSMYNBJE-CQSZACIVSA-N |
c1ccc2c(c1)[C@@H](CCCS2(=O)=O)NC(=O)c3cc c4c(c3)ncc(n4)O; Oc1cnc2cc(ccc2n1)C(=O)N C1CCCS(=O)(=O)c2ccccc21; c1ccc2c(c1)C(CC CS2(=O)=O)NC(=O)c3ccc4c(c3)ncc(n4)O; Oc1 cnc2cc(ccc2n1)C(=O)N[CH]3CCC[S](=O)(=O)c 4ccccc34; Oc1cnc2cc(ccc2n1)C(=O)N[C@@H]3 CCC[S](=O)(=O)c4ccccc34 |
N-[(5R)-1,1-dioxo-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepin-5-yl]-2-hydroxyquinoxaline-6-carboxamide |
| 14095 | A1BIX | 1 | C20 H19 N7 O2 | InChI=1S/C20H19N7O2/c1-3- 29-14-6-4-5-13(9-14)15-10 -18(28)22-20-19(15)12(2)2 4-27(20)17-8-7-16-23-21-1 1-26(16)25-17/h4-9,11,15H ,3,10H2,1-2H3,(H,22,28)/t 15-/m0/s1; CAXXQNPHWIAQRY-HNNXBMFYSA-N |
CCOc1cccc(c1)[C@@H]2CC(=O)Nc3c2c(nn3c4cc c5nncn5n4)C; CCOc1cccc(c1)C1CC(=O)Nc2c1c (C)nn2c1ccc2nncn2n1; CCOc1cccc(c1)C2CC(= O)Nc3c2c(nn3c4ccc5nncn5n4)C; CCOc1cccc(c 1)[CH]2CC(=O)Nc3n(nc(C)c23)c4ccc5nncn5n4 ; CCOc1cccc(c1)[C@@H]2CC(=O)Nc3n(nc(C)c2 3)c4ccc5nncn5n4 |
(4S)-4-(3-ethoxyphenyl)-3-methyl-1-[(4R)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| 14096 | A1BIY | 0 | C9 H11 Cl N2 O | InChI=1S/C9H11ClN2O/c1-12 -9(13)8(11)6-2-4-7(10)5-3 -6/h2-5,8H,11H2,1H3,(H,12 ,13)/t8-/m0/s1; YSGQKDVWEMDTDS-QMMMGPOBSA-N |
CNC(=O)C(c1ccc(cc1)Cl)N; NC(c1ccc(Cl)cc1 )C(=O)NC; CNC(=O)[CH](N)c1ccc(Cl)cc1; CN C(=O)[C@H](c1ccc(cc1)Cl)N; CNC(=O)[C@@H] (N)c1ccc(Cl)cc1 |
(2S)-2-amino-2-(4-chlorophenyl)-N-methylacetamide |
| 14097 | A1BIZ | 2 | C27 H25 F3 N8 O3 | InChI=1S/C27H25F3N8O3/c28 -27(29,30)41-19-9-10-32-2 0(12-19)35-25(39)16-5-3-1 5(4-6-16)22-21-23(31)33-1 4-34-24(21)38(36-22)18-2- 1-11-37(13-18)26(40)17-7- 8-17/h3-6,9-10,12,14,17-1 8H,1-2,7-8,11,13H2,(H2,31 ,33,34)(H,32,35,39)/t18-/ m1/s1; ORAYHFYENUQKFI-GOSISDBHSA-N |
Nc1ncnc2n(nc(c3ccc(cc3)C(=O)Nc4cc(OC(F)( F)F)ccn4)c12)[CH]5CCCN(C5)C(=O)C6CC6; FC (F)(F)Oc1cc(ncc1)NC(=O)c1ccc(cc1)c1nn(c2 ncnc(N)c21)C1CCCN(C1)C(=O)C1CC1; c1cc(cc c1c2c3c(ncnc3n(n2)C4CCCN(C4)C(=O)C5CC5)N )C(=O)Nc6cc(ccn6)OC(F)(F)F; Nc1ncnc2n(nc (c3ccc(cc3)C(=O)Nc4cc(OC(F)(F)F)ccn4)c12 )[C@@H]5CCCN(C5)C(=O)C6CC6; c1cc(ccc1c2c 3c(ncnc3n(n2)[C@@H]4CCCN(C4)C(=O)C5CC5)N )C(=O)Nc6cc(ccn6)OC(F)(F)F |
4-{4-amino-1-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(trifluoromethoxy)pyridin-2-yl]benzamide |
| 14098 | A1BJ0 | 1 | C15 H16 Br N5 O | InChI=1S/C15H16BrN5O/c1-8 (5-12(22)17-2)20-14-13-10 -4-3-9(16)6-11(10)21-15(1 3)19-7-18-14/h3-4,6-8H,5H 2,1-2H3,(H,17,22)(H2,18,1 9,20,21)/t8-/m1/s1; ZCRIOTAHXCOQQU-MRVPVSSYSA-N |
CC(CC(=O)NC)Nc1c2c3ccc(cc3[nH]c2ncn1)Br; C[C@H](CC(=O)NC)Nc1c2c3ccc(cc3[nH]c2ncn 1)Br; CNC(=O)C[CH](C)Nc1ncnc2[nH]c3cc(Br )ccc3c12; CNC(=O)CC(C)Nc1ncnc2[NH]c3cc(B r)ccc3c12; CNC(=O)C[C@@H](C)Nc1ncnc2[nH] c3cc(Br)ccc3c12 |
(3R)-3-[(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)amino]-N-methylbutanamide |
| 14099 | A1BJ1 | 1 | C12 H8 Cl F N4 S | InChI=1S/C12H8ClFN4S/c13- 8-3-7(1-2-9(8)14)4-19-12- 10-11(16-5-15-10)17-6-18- 12/h1-3,5-6H,4H2,(H,15,16 ,17,18); OMVYZAUYAZHFDJ-UHFFFAOYSA-N |
Fc1ccc(CSc2ncnc3[nH]cnc23)cc1Cl; c1cc(c( cc1CSc2c3c([nH]cn3)ncn2)Cl)F; Fc1ccc(cc1 Cl)CSc1ncnc2[NH]cnc21 |
6-{[(3-chloro-4-fluorophenyl)methyl]sulfanyl}-9H-purine |
| 14100 | A1BJ2 CHEMBL4758430 |
2 | C12 H9 F N4 S | InChI=1S/C12H9FN4S/c13-9- 3-1-2-8(4-9)5-18-12-10-11 (15-6-14-10)16-7-17-12/h1 -4,6-7H,5H2,(H,14,15,16,1 7); VBRFYTXQKPWMEZ-UHFFFAOYSA-N |
c1cc(cc(c1)F)CSc2c3c([nH]cn3)ncn2; Fc1cc cc(CSc2ncnc3[nH]cnc23)c1; Fc1cccc(c1)CSc 1ncnc2[NH]cnc21 |
6-{[(3-fluorophenyl)methyl]sulfanyl}-9H-purine |
| 14101 | A1BJ3 | 1 | C13 H16 N4 O S | InChI=1S/C13H16N4OS/c14-1 2(18)8-3-1-2-4-9(8)17-13- 11-10(5-6-19-11)15-7-16-1 3/h5-9H,1-4H2,(H2,14,18)( H,15,16,17)/t8-,9+/m1/s1; NBDCRVNEXGIXAL-BDAKNGLRSA-N |
c1csc2c1ncnc2N[C@H]3CCCC[C@H]3C(=O)N; NC (=O)C1CCCCC1Nc1ncnc2ccsc12; NC(=O)[CH]1C CCC[CH]1Nc2ncnc3ccsc23; NC(=O)[C@@H]1CCC C[C@@H]1Nc2ncnc3ccsc23; c1csc2c1ncnc2NC3 CCCCC3C(=O)N |
(1R,2S)-2-[(thieno[3,2-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxamide |
| 14102 | A1BJ4 | 1 | C7 H6 Br N3 O | InChI=1S/C7H6BrN3O/c8-4-1 -5-7(9-2-4)11-6(3-12)10-5 /h1-2,12H,3H2,(H,9,10,11); SRDOBLPQJXFKIE-UHFFFAOYSA-N |
OCc1[nH]c2cc(Br)cnc2n1; c1c(cnc2c1[nH]c( n2)CO)Br; Brc1cc2[NH]c(nc2nc1)CO |
(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methanol |
| 14103 | A1BJ5 | 1 | C14 H22 N4 O | InChI=1S/C14H22N4O/c1-5-1 0-6-15-12-11(10)13(18-8-1 7-12)16-7-14(4,19)9(2)3/h 6,8-9,19H,5,7H2,1-4H3,(H2 ,15,16,17,18)/t14-/m1/s1; QMNRCOSRBUPJSZ-CQSZACIVSA-N |
CCc1c[nH]c2ncnc(NC[C@@](C)(O)C(C)C)c12; CC(C)C(C)(O)CNc1ncnc2[NH]cc(CC)c21; CCc1 c[nH]c2c1c(ncn2)NCC(C)(C(C)C)O; CCc1c[nH ]c2c1c(ncn2)NC[C@](C)(C(C)C)O; CCc1c[nH] c2ncnc(NC[C](C)(O)C(C)C)c12 |
(2S)-1-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol |
| 14104 | A1BJ6 | 1 | C15 H22 N4 O | InChI=1S/C15H22N4O/c1-11( 2)15(9-20)5-3-7-19(8-15)1 4-12-4-6-16-13(12)17-10-1 8-14/h4,6,10-11,20H,3,5,7 -9H2,1-2H3,(H,16,17,18)/t 15-/m1/s1; BFQSYHGYWCIKID-OAHLLOKOSA-N |
CC(C)[C]1(CO)CCCN(C1)c2ncnc3[nH]ccc23; C C(C)C1(CCCN(C1)c2c3cc[nH]c3ncn2)CO; CC(C )[C@@]1(CCCN(C1)c2c3cc[nH]c3ncn2)CO; CC( C)[C@]1(CO)CCCN(C1)c2ncnc3[nH]ccc23; CC( C)C1(CCCN(C1)c1ncnc2[NH]ccc12)CO |
[(3R)-3-(propan-2-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol |
| 14105 | A1BJ7 | 1 | C15 H15 N5 O S | InChI=1S/C15H15N5OS/c16-8 -11-3-4-13(18-9-11)20-6-1 -2-12(10-20)14(21)19-15-1 7-5-7-22-15/h3-5,7,9,12H, 1-2,6,10H2,(H,17,19,21)/t 12-/m1/s1; KYBSSKSLTPOZCU-GFCCVEGCSA-N |
O=C(Nc1sccn1)[C@@H]2CCCN(C2)c3ccc(cn3)C# N; c1cc(ncc1C#N)N2CCC[C@H](C2)C(=O)Nc3nc cs3; O=C(Nc1sccn1)[CH]2CCCN(C2)c3ccc(cn3 )C#N; c1cc(ncc1C#N)N2CCCC(C2)C(=O)Nc3ncc s3; O=C(Nc1nccs1)C1CCCN(C1)c1ccc(C#N)cn1 |
(3R)-1-(5-cyanopyridin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide |
| 14106 | A1BJ8 | 1 | C15 H21 N5 O | InChI=1S/C15H21N5O/c1-8-9 (2)19-14-12(8)13(17-7-18- 14)16-6-10-15(3,4)5-11(21 )20-10/h7,10H,5-6H2,1-4H3 ,(H,20,21)(H2,16,17,18,19 )/t10-/m1/s1; QNWPQRVMXMTFFK-SNVBAGLBSA-N |
Cc1[nH]c2ncnc(NC[CH]3NC(=O)CC3(C)C)c2c1C ; Cc1c2c(ncnc2[NH]c1C)NCC1NC(=O)CC1(C)C; Cc1c([nH]c2c1c(ncn2)NC[C@@H]3C(CC(=O)N3 )(C)C)C; Cc1[nH]c2ncnc(NC[C@H]3NC(=O)CC3 (C)C)c2c1C; Cc1c([nH]c2c1c(ncn2)NCC3C(CC (=O)N3)(C)C)C |
(5S)-5-{[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}-4,4-dimethylpyrrolidin-2-one |
| 14107 | A1BJ9 | 2 | C14 H12 F N5 O2 | InChI=1S/C14H12FN5O2/c15- 10-2-1-8(21)3-7(10)4-17-1 3-11-9(12(16)22)5-18-14(1 1)20-6-19-13/h1-3,5-6,21H ,4H2,(H2,16,22)(H2,17,18, 19,20); NRACIMLGUBCGPE-UHFFFAOYSA-N |
Oc1cc(CNc2ncnc3[NH]cc(c32)C(N)=O)c(F)cc1 ; NC(=O)c1c[nH]c2ncnc(NCc3cc(O)ccc3F)c12 ; c1cc(c(cc1O)CNc2c3c(c[nH]c3ncn2)C(=O)N )F |
4-{[(2-fluoro-5-hydroxyphenyl)methyl]amino}-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide |
| 14108 | A1BJA | 1 | C19 H18 Cl2 N4 O3 | InChI=1S/C19H18Cl2N4O3/c1 -10-15-12-2-3-13(20)16(21 )17(12)24-14(15)4-5-25(10 )19(27)18-22-8-11(9-23-18 )28-7-6-26/h2-3,8-10,24,2 6H,4-7H2,1H3/t10-/m0/s1; AIKATVNPTUCXJK-JTQLQIEISA-N |
OCCOc1cnc(nc1)C(=O)N1CCc2[NH]c3c(Cl)c(Cl )ccc3c2C1C; C[C@H]1c2c3ccc(c(c3[nH]c2CCN 1C(=O)c4ncc(cn4)OCCO)Cl)Cl; C[CH]1N(CCc2 [nH]c3c(Cl)c(Cl)ccc3c12)C(=O)c4ncc(OCCO) cn4; C[C@@H]1N(CCc2[nH]c3c(Cl)c(Cl)ccc3c 12)C(=O)c4ncc(OCCO)cn4; CC1c2c3ccc(c(c3[ nH]c2CCN1C(=O)c4ncc(cn4)OCCO)Cl)Cl |
[(1S)-6,7-dichloro-1-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl][5-(2-hydroxyethoxy)pyrimidin-2-yl]methanone |
| 14109 | A1BJB | 1 | C25 H25 B N4 O10 | InChI=1S/C25H25BN4O10/c1- 2-29-10-11-30(22(33)21(29 )32)25(38)28-18(13-6-8-14 (9-7-13)23(34)35)20(31)27 -17-12-15-4-3-5-16(24(36) 37)19(15)40-26(17)39/h3-9 ,17-18,39H,2,10-12H2,1H3, (H,27,31)(H,28,38)(H,34,3 5)(H,36,37)/t17-,18+/m0/s 1; HROYTATZRUUQQB-ZWKOTPCHSA-N |
B1(C(Cc2cccc(c2O1)C(=O)O)NC(=O)C(c3ccc(c c3)C(=O)O)NC(=O)N4CCN(C(=O)C4=O)CC)O; B1 ([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)[C@@H]( c3ccc(cc3)C(=O)O)NC(=O)N4CCN(C(=O)C4=O)C C)O; CCN1CCN(C(=O)N[CH](C(=O)N[CH]2Cc3cc cc(C(O)=O)c3OB2O)c4ccc(cc4)C(O)=O)C(=O)C 1=O; CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2Cc 3cccc(C(O)=O)c3OB2O)c4ccc(cc4)C(O)=O)C(= O)C1=O; O=C(O)c1ccc(cc1)C(NC(=O)N1CCN(CC )C(=O)C1=O)C(=O)NC1Cc2cccc(c2OB1O)C(=O)O |
(3R)-3-({(2R)-2-(4-carboxyphenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl}amino)-2-hydroxy-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid |
| 14110 | A1BJC | 1 | C24 H26 B N4 O11 P | InChI=1S/C24H26BN4O11P/c1 -2-28-10-11-29(22(32)21(2 8)31)24(35)27-18(13-6-8-1 5(9-7-13)41(37,38)39)20(3 0)26-17-12-14-4-3-5-16(23 (33)34)19(14)40-25(17)36/ h3-9,17-18,36H,2,10-12H2, 1H3,(H,26,30)(H,27,35)(H, 33,34)(H2,37,38,39)/t17-, 18+/m0/s1; XZMSMKVMMWSBQP-ZWKOTPCHSA-N |
B1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)[C@@H ](c3ccc(cc3)P(=O)(O)O)NC(=O)N4CCN(C(=O)C 4=O)CC)O; CCN1CCN(C(=O)N[C@@H](C(=O)N[C@ H]2Cc3cccc(C(O)=O)c3OB2O)c4ccc(cc4)[P](O )(O)=O)C(=O)C1=O; CCN1CCN(C(=O)N[CH](C(= O)N[CH]2Cc3cccc(C(O)=O)c3OB2O)c4ccc(cc4) [P](O)(O)=O)C(=O)C1=O; O=P(O)(O)c1ccc(cc 1)C(NC(=O)N1CCN(CC)C(=O)C1=O)C(=O)NC1Cc2 cccc(c2OB1O)C(=O)O; B1(C(Cc2cccc(c2O1)C( =O)O)NC(=O)C(c3ccc(cc3)P(=O)(O)O)NC(=O)N 4CCN(C(=O)C4=O)CC)O |
(3R)-3-{[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-phosphonophenyl)acetyl]amino}-2-hydroxy-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid |
| 14111 | A1BJD | 1 | C20 H18 Cl N5 O4 | InChI=1S/C20H18ClN5O4/c1- 11(26(2)19(28)15-4-3-5-22 -16(15)20(29)30)18(27)25- 14-9-12(8-13(21)10-14)17- 23-6-7-24-17/h3-11H,1-2H3 ,(H,23,24)(H,25,27)(H,29, 30)/t11-/m0/s1; NOHBZQQIHRILRX-NSHDSACASA-N |
C[C@H](N(C)C(=O)c1cccnc1C(O)=O)C(=O)Nc2c c(Cl)cc(c2)c3[nH]ccn3; CC(C(=O)Nc1cc(cc( c1)Cl)c2[nH]ccn2)N(C)C(=O)c3cccnc3C(=O)O ; C[C@@H](C(=O)Nc1cc(cc(c1)Cl)c2[nH]ccn2 )N(C)C(=O)c3cccnc3C(=O)O; C[CH](N(C)C(=O )c1cccnc1C(O)=O)C(=O)Nc2cc(Cl)cc(c2)c3[n H]ccn3; O=C(O)c1ncccc1C(=O)N(C)C(C)C(=O) Nc1cc(Cl)cc(c1)c1ncc[NH]1 |
3-{[(2S)-1-{[(5P)-3-chloro-5-(1H-imidazol-2-yl)phenyl]amino}-1-oxopropan-2-yl](methyl)carbamoyl}pyridine-2-carboxylic acid |
| 14112 | A1BJE CHEMBL1242204 |
1 | C17 H13 N5 O | InChI=1S/C17H13N5O/c18-16 -14-15(21-22-17(14)20-10- 19-16)11-6-8-13(9-7-11)23 -12-4-2-1-3-5-12/h1-10H,( H3,18,19,20,21,22); YYVUOZULIDAKRN-UHFFFAOYSA-N |
Nc1ncnc2[nH]nc(c3ccc(Oc4ccccc4)cc3)c12; c1ccc(cc1)Oc2ccc(cc2)c3c4c(ncnc4[nH]n3)N ; Nc1ncnc2[NH]nc(c12)c1ccc(Oc2ccccc2)cc1 |
3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| 14113 | A1BJH | 1 | C15 H11 Cl F N3 O4 | InChI=1S/C15H11ClFN3O4/c1 6-10-6-8(3-4-11(10)17)20- 12(21)7-19-14(22)9-2-1-5- 18-13(9)15(23)24/h1-6H,7H 2,(H,19,22)(H,20,21)(H,23 ,24); SEYIPRFGSMAHNV-UHFFFAOYSA-N |
OC(=O)c1ncccc1C(=O)NCC(=O)Nc2ccc(F)c(Cl) c2; c1cc(c(nc1)C(=O)O)C(=O)NCC(=O)Nc2ccc (c(c2)Cl)F; OC(=O)c1ncccc1C(=O)NCC(=O)Nc 1ccc(F)c(Cl)c1 |
3-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]carbamoyl}pyridine-2-carboxylic acid |
| 14114 | A1BJI CHEMBL3465318 |
1 | C12 H12 N6 | InChI=1S/C12H12N6/c1-3-16 -18(5-1)9-6-17(7-9)12-10- 2-4-13-11(10)14-8-15-12/h 1-5,8-9H,6-7H2,(H,13,14,1 5); GPQSZYLATAYIPJ-UHFFFAOYSA-N |
c1cnn(c1)C2CN(C2)c3c4cc[nH]c4ncn3; C1C(C N1c2ncnc3[nH]ccc23)n4cccn4; C1N(CC1n1ccc n1)c1ncnc2[NH]ccc21 |
4-[3-(1H-pyrazol-1-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine |
| 14115 | A1BJJ | 1 | C21 H23 N5 O3 | InChI=1S/C21H23N5O3/c1-13 -16(3-2-4-18(13)27)19(28) 23-14-5-7-15(8-6-14)24-20 (29)17-9-11-26-12-10-22-2 1(26)25-17/h2-4,9-12,14-1 5,27H,5-8H2,1H3,(H,23,28) (H,24,29)/t14-,15+; UJXBFTGIOPBZIW-GASCZTMLSA-N |
Cc1c(cccc1O)C(=O)NC2CCC(CC2)NC(=O)c3ccn4 ccnc4n3; Cc1c(O)cccc1C(=O)N[C@@H]2CC[C@@ H](CC2)NC(=O)c3ccn4ccnc4n3; Oc1cccc(c1C) C(=O)NC1CCC(CC1)NC(=O)c1nc2nccn2cc1; Cc1 c(O)cccc1C(=O)N[CH]2CC[CH](CC2)NC(=O)c3c cn4ccnc4n3 |
(4R)-N-[(1s,4S)-4-(3-hydroxy-2-methylbenzamido)cyclohexyl]imidazo[1,2-a]pyrimidine-7-carboxamide |
| 14116 | A1BJK | 1 | C19 H14 N4 O S | InChI=1S/C19H14N4OS/c24-1 7(14-4-2-1-3-5-14)15-8-6- 13(7-9-15)10-25-19-16-18( 21-11-20-16)22-12-23-19/h 1-9,11-12H,10H2,(H,20,21, 22,23); CNEQQMVCKRNNAJ-UHFFFAOYSA-N |
c1ccc(cc1)C(=O)c2ccc(cc2)CSc3c4c([nH]cn4 )ncn3; O=C(c1ccccc1)c2ccc(CSc3ncnc4[nH]c nc34)cc2; O=C(c1ccccc1)c1ccc(cc1)CSc1ncn c2[NH]cnc21 |
phenyl(4-{[(9H-purin-6-yl)sulfanyl]methyl}phenyl)methanone |
| 14117 | A1BJL | 1 | C15 H21 N5 O | InChI=1S/C15H21N5O/c16-14 -18-12-11(2-6-17-12)13(19 -14)20-7-5-15(3-1-4-15)10 (8-20)9-21/h2,6,10,21H,1, 3-5,7-9H2,(H3,16,17,18,19 )/t10-/m0/s1; SQOLCBZCYMVTKG-JTQLQIEISA-N |
c1c[nH]c2c1c(nc(n2)N)N3CCC4(CCC4)C(C3)CO ; Nc1nc2[NH]ccc2c(n1)N1CCC2(CCC2)C(C1)CO ; Nc1nc2[nH]ccc2c(n1)N3CCC4(CCC4)[CH](CO )C3; c1c[nH]c2c1c(nc(n2)N)N3CCC4(CCC4)[C @@H](C3)CO; Nc1nc2[nH]ccc2c(n1)N3CCC4(CC C4)[C@H](CO)C3 |
[(5S)-7-(2-amino-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-5-yl]methanol |
| 14118 | A1BJM | 1 | C13 H14 Br N5 O3 S | InChI=1S/C13H14BrN5O3S/c1 4-8-6-10-11(16-17-12(10)1 5-7-8)13(20)19-5-1-4-18(9 -2-3-9)23(19,21)22/h6-7,9 H,1-5H2,(H,15,16,17); WTUDLGZGFXNASV-UHFFFAOYSA-N |
c1c(cnc2c1c(n[nH]2)C(=O)N3CCCN(S3(=O)=O) C4CC4)Br; O=S1(=O)N(CCCN1C1CC1)C(=O)c1n[ NH]c2ncc(Br)cc21; Brc1cnc2[nH]nc(C(=O)N3 CCCN(C4CC4)[S]3(=O)=O)c2c1 |
2-(5-bromo-1H-pyrazolo[3,4-b]pyridine-3-carbonyl)-6-cyclopropyl-1lambda~6~,2,6-thiadiazinane-1,1-dione |
| 14119 | A1BJN | 1 | C16 H15 Cl2 N3 O4 S2 | InChI=1S/C16H15Cl2N3O4S2/ c1-9(22)20-15-19-8-13(26- 15)27(24,25)21-14(23)16(5 -2-6-16)10-3-4-11(17)12(1 8)7-10/h3-4,7-8H,2,5-6H2, 1H3,(H,21,23)(H,19,20,22); JCGKTXHAXUYHAU-UHFFFAOYSA-N |
CC(=O)Nc1ncc(s1)S(=O)(=O)NC(=O)C2(CCC2)c 3ccc(c(c3)Cl)Cl; O=C(C)Nc1ncc(s1)S(=O)(= O)NC(=O)C1(CCC1)c1ccc(Cl)c(Cl)c1; CC(=O) Nc1sc(cn1)[S](=O)(=O)NC(=O)C2(CCC2)c3ccc (Cl)c(Cl)c3 |
N-(2-acetamido-1,3-thiazole-5-sulfonyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide |
| 14120 | A1BJO | 2 | C15 H12 F N5 O2 | InChI=1S/C15H12FN5O2/c16- 7-1-2-8-10(5-7)20-14-12(8 )13(17-6-18-14)19-9-3-4-1 1(22)21-15(9)23/h1-2,5-6, 9H,3-4H2,(H,21,22,23)(H2, 17,18,19,20)/t9-/m0/s1; ZCLGDCWRIWCLGU-VIFPVBQESA-N |
O=C1NC(=O)CCC1Nc1ncnc2[NH]c3cc(F)ccc3c12 ; Fc1ccc2c([nH]c3ncnc(N[C@H]4CCC(=O)NC4= O)c23)c1; Fc1ccc2c([nH]c3ncnc(N[CH]4CCC( =O)NC4=O)c23)c1; c1cc2c(cc1F)[nH]c3c2c(n cn3)NC4CCC(=O)NC4=O; c1cc2c(cc1F)[nH]c3c 2c(ncn3)N[C@H]4CCC(=O)NC4=O |
(3S)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]piperidine-2,6-dione |
| 14121 | A1BJP | 1 | C16 H15 F N4 | InChI=1S/C16H15FN4/c17-14 -4-2-1-3-12(14)11-6-8-21( 9-11)16-13-5-7-18-15(13)1 9-10-20-16/h1-5,7,10-11H, 6,8-9H2,(H,18,19,20)/t11- /m0/s1; PWUAMXZHVRMERA-NSHDSACASA-N |
c1ccc(c(c1)C2CCN(C2)c3c4cc[nH]c4ncn3)F; Fc1ccccc1[C@H]2CCN(C2)c3ncnc4[nH]ccc34; Fc1ccccc1[CH]2CCN(C2)c3ncnc4[nH]ccc34; F c1ccccc1C1CCN(C1)c1ncnc2[NH]ccc12; c1ccc (c(c1)[C@H]2CCN(C2)c3c4cc[nH]c4ncn3)F |
4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine |
| 14122 | A1BJQ | 1 | C14 H19 F3 N4 | InChI=1S/C14H19F3N4/c1-4- 9-5-18-11-10(9)12(21-8-20 -11)19-7-13(2,3)6-14(15,1 6)17/h5,8H,4,6-7H2,1-3H3, (H2,18,19,20,21); RNMNQKUTWUVHFB-UHFFFAOYSA-N |
CCc1c[nH]c2ncnc(NCC(C)(C)CC(F)(F)F)c12; FC(F)(F)CC(C)(C)CNc1ncnc2[NH]cc(CC)c21; CCc1c[nH]c2c1c(ncn2)NCC(C)(C)CC(F)(F)F |
5-ethyl-N-(4,4,4-trifluoro-2,2-dimethylbutyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| 14123 | A1BJR | 2 | C14 H13 F N4 O | InChI=1S/C14H13FN4O/c15-8 -1-2-10-11(5-8)19-14-12(1 0)13(16-7-17-14)18-9-3-4- 20-6-9/h1-2,5,7,9H,3-4,6H 2,(H2,16,17,18,19)/t9-/m1 /s1; DYUJVZFANVHCBM-SECBINFHSA-N |
Fc1ccc2c3c(ncnc3[NH]c2c1)NC1CCOC1; c1cc2 c(cc1F)[nH]c3c2c(ncn3)NC4CCOC4; Fc1ccc2c ([nH]c3ncnc(N[CH]4CCOC4)c23)c1; Fc1ccc2c ([nH]c3ncnc(N[C@@H]4CCOC4)c23)c1; c1cc2c (cc1F)[nH]c3c2c(ncn3)N[C@@H]4CCOC4 |
7-fluoro-N-[(3R)-oxolan-3-yl]-9H-pyrimido[4,5-b]indol-4-amine |
| 14124 | A1BJS | 2 | C13 H10 F2 N4 S | InChI=1S/C13H10F2N4S/c14- 11(15)9-3-1-2-8(4-9)5-20- 13-10-12(17-6-16-10)18-7- 19-13/h1-4,6-7,11H,5H2,(H ,16,17,18,19); LDFHABHDJCVWSS-UHFFFAOYSA-N |
FC(F)c1cccc(CSc2ncnc3[nH]cnc23)c1; FC(F) c1cccc(c1)CSc1ncnc2[NH]cnc21; c1cc(cc(c1 )C(F)F)CSc2c3c([nH]cn3)ncn2 |
6-({[3-(difluoromethyl)phenyl]methyl}sulfanyl)-9H-purine |
| 14125 | A1BJT | 1 | C16 H17 Br N4 O2 | InChI=1S/C16H17BrN4O2/c1- 23-7-12(22)16(4-5-16)21-1 5-13-10-3-2-9(17)6-11(10) 20-14(13)18-8-19-15/h2-3, 6,8,12,22H,4-5,7H2,1H3,(H 2,18,19,20,21)/t12-/m0/s1; IUSJHXBVIWYIRL-LBPRGKRZSA-N |
COCC(C1(CC1)Nc2c3c4ccc(cc4[nH]c3ncn2)Br) O; COC[C@@H](C1(CC1)Nc2c3c4ccc(cc4[nH]c3 ncn2)Br)O; COCC(O)C1(CC1)Nc1ncnc2[NH]c3c c(Br)ccc3c12; COC[CH](O)C1(CC1)Nc2ncnc3[ nH]c4cc(Br)ccc4c23; COC[C@H](O)C1(CC1)Nc 2ncnc3[nH]c4cc(Br)ccc4c23 |
(1R)-1-{1-[(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopropyl}-2-methoxyethan-1-ol |
| 14126 | A1BJU | 1 | C10 H8 Br Cl O2 | InChI=1S/C10H8BrClO2/c11- 7-5-6(1-2-8(7)12)10(3-4-1 0)9(13)14/h1-2,5H,3-4H2,( H,13,14); XHRHNFHYFQBJLJ-UHFFFAOYSA-N |
c1cc(c(cc1C2(CC2)C(=O)O)Br)Cl; OC(=O)C1( CC1)c1cc(Br)c(Cl)cc1; OC(=O)C1(CC1)c2ccc (Cl)c(Br)c2 |
1-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid |
| 14127 | A1BJV | 1 | C18 H20 F N5 O | InChI=1S/C18H20FN5O/c1-2- 5-24-9-11(6-15(24)25)8-20 -17-16-13-4-3-12(19)7-14( 13)23-18(16)22-10-21-17/h 3-4,7,10-11H,2,5-6,8-9H2, 1H3,(H2,20,21,22,23)/t11- /m1/s1; MNKFCTCNHUFHIW-LLVKDONJSA-N |
CCCN1C[C@@H](CNc2ncnc3[nH]c4cc(F)ccc4c23 )CC1=O; CCCN1CC(CC1=O)CNc2c3c4ccc(cc4[nH ]c3ncn2)F; CCCN1C[C@H](CC1=O)CNc2c3c4ccc (cc4[nH]c3ncn2)F; CCCN1C[CH](CNc2ncnc3[n H]c4cc(F)ccc4c23)CC1=O; CCCN1CC(CNc2ncnc 3[NH]c4cc(F)ccc4c32)CC1=O |
(4R)-4-{[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}-1-propylpyrrolidin-2-one |
| 14128 | A1BJW | 1 | C15 H14 F N5 O2 | InChI=1S/C15H14FN5O2/c16- 9-1-2-10-11(7-9)20-14-12( 10)13(18-8-19-14)17-3-4-2 1-5-6-23-15(21)22/h1-2,7- 8H,3-6H2,(H2,17,18,19,20); SBYDWOLNFDGUSQ-UHFFFAOYSA-N |
c1cc2c(cc1F)[nH]c3c2c(ncn3)NCCN4CCOC4=O; Fc1ccc2c3c(NCCN4CCOC4=O)ncnc3[NH]c2c1; Fc1ccc2c([nH]c3ncnc(NCCN4CCOC4=O)c23)c1 |
3-{2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]ethyl}-1,3-oxazolidin-2-one |
| 14129 | A1BJX | 1 | C14 H12 Cl2 N2 O4 S | InChI=1S/C14H12Cl2N2O4S/c 1-8-11(15)6-9(7-12(8)16)2 3(21,22)18-17-14(20)10-4- 2-3-5-13(10)19/h2-7,18-19 H,1H3,(H,17,20); FYJRXAXEURZPJA-UHFFFAOYSA-N |
Cc1c(Cl)cc(cc1Cl)[S](=O)(=O)NNC(=O)c2ccc cc2O; Cc1c(cc(cc1Cl)S(=O)(=O)NNC(=O)c2cc ccc2O)Cl; Clc1cc(cc(Cl)c1C)S(=O)(=O)NNC( =O)c1ccccc1O |
N'-(3,5-dichloro-4-methylbenzene-1-sulfonyl)-2-hydroxybenzohydrazide |
| 14130 | A1BJY | 1 | C15 H22 N4 | InChI=1S/C15H22N4/c1-9-10 (2)18-13-12(9)14(17-8-16- 13)19-11-6-5-7-15(11,3)4/ h8,11H,5-7H2,1-4H3,(H2,16 ,17,18,19)/t11-/m1/s1; OQGOPFFJFGNBKF-LLVKDONJSA-N |
Cc1[nH]c2ncnc(N[CH]3CCCC3(C)C)c2c1C; CC1 (C)CCCC1Nc1ncnc2[NH]c(C)c(C)c21; Cc1c([n H]c2c1c(ncn2)NC3CCCC3(C)C)C; Cc1c([nH]c2 c1c(ncn2)N[C@@H]3CCCC3(C)C)C; Cc1[nH]c2n cnc(N[C@@H]3CCCC3(C)C)c2c1C |
N-[(1R)-2,2-dimethylcyclopentyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| 14131 | A1BJZ | 2 | C11 H13 N3 O | InChI=1S/C11H13N3O/c1-7(3 -4-15)10-9-5-8(2)14-11(9) 13-6-12-10/h5-6,15H,1,3-4 H2,2H3,(H,12,13,14); JCVNBIAIOPLKDD-UHFFFAOYSA-N |
Cc1[nH]c2ncnc(C(=C)CCO)c2c1; C=C(CCO)c1n cnc2[NH]c(C)cc12; Cc1cc2c(ncnc2[nH]1)C(= C)CCO |
3-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)but-3-en-1-ol |
| 14132 | A1BK0 | 2 | C14 H18 N4 O3 S | InChI=1S/C14H18N4O3S/c1-4 -18-10(2)8-13(16-18)14(19 )15-11-6-5-7-12(9-11)17-2 2(3,20)21/h5-9,17H,4H2,1- 3H3,(H,15,19); RNCRRFDHODBLRY-UHFFFAOYSA-N |
O=C(Nc1cccc(NS(C)(=O)=O)c1)c1cc(C)n(CC)n 1; CCn1c(cc(n1)C(=O)Nc2cccc(c2)NS(=O)(=O )C)C; CCn1nc(cc1C)C(=O)Nc2cccc(N[S](C)(= O)=O)c2 |
1-ethyl-N-[3-(methanesulfonamido)phenyl]-5-methyl-1H-pyrazole-3-carboxamide |
| 14133 | A1BK3 | 1 | C25 H35 N5 O8 | InChI=1S/C25H35N5O8/c1-38 -24(35)20(31)18(14-16-10- 12-27-21(16)32)29-22(33)1 7(9-5-6-11-26)28-23(34)19 (30-25(36)37)13-15-7-3-2- 4-8-15/h2-4,7-8,12,16-20, 30-31H,5-6,9-11,13-14,26H 2,1H3,(H,28,34)(H,29,33)( H,36,37)/t16-,17-,18-,19- ,20+/m0/s1; WFSLHCGPTMFRHH-VYJAJWGXSA-N |
COC(=O)[C@@H]([C@H](C[C@@H]1CC=NC1=O)NC( =O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC( =O)O)O; COC(=O)C(C(CC1CC=NC1=O)NC(=O)C(C CCCN)NC(=O)C(Cc2ccccc2)NC(=O)O)O; COC(=O )[C@H](O)[C@H](C[C@@H]1CC=NC1=O)NC(=O)[C @H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(O)=O; O=C1N=CCC1CC(NC(=O)C(CCCCN)NC(=O)C(Cc1c cccc1)NC(=O)O)C(O)C(=O)OC; COC(=O)[CH](O )[CH](C[CH]1CC=NC1=O)NC(=O)[CH](CCCCN)NC (=O)[CH](Cc2ccccc2)NC(O)=O |
N-carboxy-L-phenylalanyl-N-{(2S,3R)-3-hydroxy-4-methoxy-4-oxo-1-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]butan-2-yl}-L-lysinamide |
| 14134 | A1BK4 | 1 | C24 H40 N4 O7 | InChI=1S/C24H40N4O7/c1-15 (2)13-18(20(29)23(32)35-3 )27-21(30)17(11-7-8-12-25 )26-22(31)19(28-24(33)34) 14-16-9-5-4-6-10-16/h4-6, 9-10,15,17-20,24,28-29,33 -34H,7-8,11-14,25H2,1-3H3 ,(H,26,31)(H,27,30)/t17-, 18-,19-,20+/m0/s1; FKYXTMPITQBLQQ-LWYYNNOASA-N |
COC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H]( CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(O)O; CC(C )C[C@@H]([C@H](C(=O)OC)O)NC(=O)[C@H](CCC CN)NC(=O)[C@H](Cc1ccccc1)NC(O)O; CC(C)CC (C(C(=O)OC)O)NC(=O)C(CCCCN)NC(=O)C(Cc1cc ccc1)NC(O)O; COC(=O)[CH](O)[CH](CC(C)C)N C(=O)[CH](CCCCN)NC(=O)[CH](Cc1ccccc1)NC( O)O; O=C(OC)C(O)C(CC(C)C)NC(=O)C(CCCCN)N C(=O)C(NC(O)O)Cc1ccccc1 |
N-(dihydroxymethyl)-L-phenylalanyl-N-[(2R,3S)-2-hydroxy-1-methoxy-5-methyl-1-oxohexan-3-yl]-L-lysinamide; methyl (5S,8S,11S)-8-(4-aminobutyl)-5-benzyl-11-isobutyl-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10-triazatridecan-13-oate bound form |
| 14135 | A1BK9 CHEMBL4871246 |
3 | C27 H30 N2 O2 | InChI=1S/C27H30N2O2/c1-18 (2)30-22-11-7-20(8-12-22) 24-17-29-25(16-28-26(29)1 5-19(24)3)21-9-13-23(14-1 0-21)31-27(4,5)6/h7-18H,1 -6H3; TWUXCBSMDFLDBC-UHFFFAOYSA-N |
Cc1cc2ncc(n2cc1c3ccc(cc3)OC(C)C)c4ccc(cc 4)OC(C)(C)C; CC(C)Oc1ccc(cc1)c2cn3c(cc2C )ncc3c4ccc(OC(C)(C)C)cc4; CC(C)Oc1ccc(cc 1)c1cn2c(cnc2cc1C)c1ccc(OC(C)(C)C)cc1 |
(4S)-3-(4-tert-butoxyphenyl)-7-methyl-6-{4-[(propan-2-yl)oxy]phenyl}imidazo[1,2-a]pyridine |
| 14136 | A1BKA | 1 | C15 H13 F N4 O | InChI=1S/C15H13FN4O/c16-1 2-3-1-2-10-8-20(6-7-21-13 (10)12)15-11-4-5-17-14(11 )18-9-19-15/h1-5,9H,6-8H2 ,(H,17,18,19); YIMUKKUCNVULRT-UHFFFAOYSA-N |
c1cc2c(c(c1)F)OCCN(C2)c3c4cc[nH]c4ncn3; Fc1cccc2CN(CCOc12)c1ncnc2[NH]ccc21; Fc1c ccc2CN(CCOc12)c3ncnc4[nH]ccc34 |
9-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| 14137 | A1BKB | 1 | C15 H14 Br N5 O | InChI=1S/C15H14BrN5O/c16- 8-1-2-9-10(5-8)21-13-11(9 )12(19-7-20-13)18-6-15(3- 4-15)14(17)22/h1-2,5,7H,3 -4,6H2,(H2,17,22)(H2,18,1 9,20,21); YLNJPEGUTGFJHW-UHFFFAOYSA-N |
NC(=O)C1(CC1)CNc1ncnc2[NH]c3cc(Br)ccc3c1 2; c1cc2c(cc1Br)[nH]c3c2c(ncn3)NCC4(CC4) C(=O)N; NC(=O)C1(CC1)CNc2ncnc3[nH]c4cc(B r)ccc4c23 |
1-{[(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}cyclopropane-1-carboxamide |
| 14138 | A1BKC | 1 | C14 H16 Cl N5 O | InChI=1S/C14H16ClN5O/c15- 11-5-10-13(19-11)17-7-18- 14(10)20-8-2-1-3-9(20)6-1 6-12(21)4-8/h5,7-9H,1-4,6 H2,(H,16,21)(H,17,18,19)/ t8-,9+/m1/s1; YQNFICZZYFQQBS-BDAKNGLRSA-N |
c1c2c([nH]c1Cl)ncnc2N3[C@@H]4CCC[C@H]3CN C(=O)C4; c1c2c([nH]c1Cl)ncnc2N3C4CCCC3CN C(=O)C4; Clc1[nH]c2ncnc(N3[CH]4CCC[CH]3C C(=O)NC4)c2c1; Clc1cc2c([NH]1)ncnc2N1C2C CCC1CNC(=O)C2; Clc1[nH]c2ncnc(N3[C@H]4CC C[C@@H]3CC(=O)NC4)c2c1 |
(1S,6R)-10-(6-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,10-diazabicyclo[4.3.1]decan-4-one |
| 14139 | A1BKD | 1 | C13 H5 F3 N4 S | InChI=1S/C13H5F3N4S/c14-7 -1-8(15)11(9(16)2-7)21-13 -10-6(3-17)4-18-12(10)19- 5-20-13/h1-2,4-5H,(H,18,1 9,20); TTYZGNACOPHKDR-UHFFFAOYSA-N |
Fc1cc(F)cc(F)c1Sc1ncnc2[NH]cc(C#N)c21; c 1c(cc(c(c1F)Sc2c3c(c[nH]c3ncn2)C#N)F)F; Fc1cc(F)c(Sc2ncnc3[nH]cc(C#N)c23)c(F)c1 |
4-[(2,4,6-trifluorophenyl)sulfanyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| 14140 | A1BKE | 1 | C16 H14 F2 N2 O3 S | InChI=1S/C16H14F2N2O3S/c1 -24(22,23)15-13(17)5-10(6 -14(15)18)20-16(21)12-7-1 1(12)9-3-2-4-19-8-9/h2-6, 8,11-12H,7H2,1H3,(H,20,21 )/t11-,12+/m1/s1; CNDFLDUSXNNHCV-NEPJUHHUSA-N |
C[S](=O)(=O)c1c(F)cc(NC(=O)[CH]2C[CH]2c3 cccnc3)cc1F; CS(=O)(=O)c1c(cc(cc1F)NC(=O )[C@H]2C[C@@H]2c3cccnc3)F; CS(=O)(=O)c1c (F)cc(cc1F)NC(=O)C1CC1c1cccnc1; CS(=O)(= O)c1c(cc(cc1F)NC(=O)C2CC2c3cccnc3)F; C[S ](=O)(=O)c1c(F)cc(NC(=O)[C@H]2C[C@@H]2c3 cccnc3)cc1F |
(1S,2S)-N-[3,5-difluoro-4-(methanesulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropane-1-carboxamide |
| 14141 | A1BKF | 1 | C14 H14 N4 S | InChI=1S/C14H14N4S/c1-2-1 0-4-3-5-11(6-10)7-19-14-1 2-13(16-8-15-12)17-9-18-1 4/h3-6,8-9H,2,7H2,1H3,(H, 15,16,17,18); VWNYXAUKBQLTTB-UHFFFAOYSA-N |
CCc1cccc(c1)CSc2c3c([nH]cn3)ncn2; CCc1cc cc(CSc2ncnc3[nH]cnc23)c1; CCc1cccc(c1)CS c1ncnc2[NH]cnc21 |
6-{[(3-ethylphenyl)methyl]sulfanyl}-9H-purine |
| 14142 | A1BKG | 2 | C16 H15 F2 N5 O | InChI=1S/C16H15F2N5O/c17- 4-6-23-5-3-11(16(23)24)21 -14-13-10-2-1-9(18)7-12(1 0)22-15(13)20-8-19-14/h1- 2,7-8,11H,3-6H2,(H2,19,20 ,21,22)/t11-/m1/s1; PAPDQKXRAJMUIT-LLVKDONJSA-N |
c1cc2c(cc1F)[nH]c3c2c(ncn3)N[C@@H]4CCN(C 4=O)CCF; FCCN1CCC(Nc2ncnc3[NH]c4cc(F)ccc 4c32)C1=O; c1cc2c(cc1F)[nH]c3c2c(ncn3)NC 4CCN(C4=O)CCF; FCCN1CC[C@@H](Nc2ncnc3[nH ]c4cc(F)ccc4c23)C1=O; FCCN1CC[CH](Nc2ncn c3[nH]c4cc(F)ccc4c23)C1=O |
(3R)-1-(2-fluoroethyl)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]pyrrolidin-2-one |
| 14143 | A1BKH | 1 | C18 H20 F N5 O | InChI=1S/C18H20FN5O/c1-20 -18(25)12-4-2-3-5-13(12)2 3-16-15-11-7-6-10(19)8-14 (11)24-17(15)22-9-21-16/h 6-9,12-13H,2-5H2,1H3,(H,2 0,25)(H2,21,22,23,24)/t12 -,13+/m1/s1; ZBDNRIOHABEATK-OLZOCXBDSA-N |
CNC(=O)C1CCCCC1Nc2c3c4ccc(cc4[nH]c3ncn2) F; CNC(=O)[C@@H]1CCCC[C@@H]1Nc2c3c4ccc(c c4[nH]c3ncn2)F; CNC(=O)[C@@H]1CCCC[C@@H] 1Nc2ncnc3[nH]c4cc(F)ccc4c23; CNC(=O)C1CC CCC1Nc1ncnc2[NH]c3cc(F)ccc3c12; CNC(=O)[ CH]1CCCC[CH]1Nc2ncnc3[nH]c4cc(F)ccc4c23 |
(1R,2S)-2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]-N-methylcyclohexane-1-carboxamide |
| 14144 | A1BKI | 1 | C13 H16 Br N5 O2 | InChI=1S/C13H16BrN5O2/c1- 8(2-3-19-4-5-21-13(19)20) 18-12-10-9(14)6-15-11(10) 16-7-17-12/h6-8H,2-5H2,1H 3,(H2,15,16,17,18)/t8-/m1 /s1; AFIGFQHYOWWULG-MRVPVSSYSA-N |
C[CH](CCN1CCOC1=O)Nc2ncnc3[nH]cc(Br)c23; C[C@H](CCN1CCOC1=O)Nc2ncnc3[nH]cc(Br)c2 3; CC(CCN1CCOC1=O)Nc2c3c(c[nH]c3ncn2)Br; Brc1c[NH]c2ncnc(NC(C)CCN3CCOC3=O)c12; C [C@H](CCN1CCOC1=O)Nc2c3c(c[nH]c3ncn2)Br |
3-{(3R)-3-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butyl}-1,3-oxazolidin-2-one |
| 14145 | A1BKK | 1 | C16 H14 Br F N4 O2 | InChI=1S/C16H14BrFN4O2/c1 -8(2)24-11-4-3-9(12(17)13 (11)18)16(23)22-15-10-5-6 -19-14(10)20-7-21-15/h3-8 H,1-2H3,(H2,19,20,21,22,2 3); UIAIOXKVMBZDSS-UHFFFAOYSA-N |
CC(C)Oc1ccc(C(=O)Nc2ncnc3[nH]ccc23)c(Br) c1F; CC(C)Oc1ccc(c(Br)c1F)C(=O)Nc1ncnc2[ NH]ccc21; CC(C)Oc1ccc(c(c1F)Br)C(=O)Nc2c 3cc[nH]c3ncn2 |
2-bromo-3-fluoro-4-[(propan-2-yl)oxy]-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzamide |
| 14146 | A1BKL | 1 | C14 H20 N4 O | InChI=1S/C14H20N4O/c1-8-9 (2)17-12-11(8)13(16-7-15- 12)18-10(19)6-14(3,4)5/h7 H,6H2,1-5H3,(H2,15,16,17, 18,19); XYLAWDVAZFXABK-UHFFFAOYSA-N |
Cc1[nH]c2ncnc(NC(=O)CC(C)(C)C)c2c1C; CC( C)(C)CC(=O)Nc1ncnc2[NH]c(C)c(C)c21; Cc1c ([nH]c2c1c(ncn2)NC(=O)CC(C)(C)C)C |
N-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,3-dimethylbutanamide |
| 14147 | A1BKM | 2 | C13 H15 Br N4 O | InChI=1S/C13H15BrN4O/c1-7 (14)4-5-10(19)18-13-11-8( 2)9(3)17-12(11)15-6-16-13 /h6H,1,4-5H2,2-3H3,(H2,15 ,16,17,18,19); SLNZZAQTYIIJNS-UHFFFAOYSA-N |
Cc1c([nH]c2c1c(ncn2)NC(=O)CCC(=C)Br)C; B rC(=C)CCC(=O)Nc1ncnc2[NH]c(C)c(C)c21; Cc 1[nH]c2ncnc(NC(=O)CCC(Br)=C)c2c1C |
4-bromo-N-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pent-4-enamide |
| 14148 | A1BKN | 1 | C22 H23 N5 O3 | InChI=1S/C22H23N5O3/c28-2 0(18-3-1-2-17(26-18)14-4- 5-14)25-12-22(30)7-9-27(1 3-22)21(29)16-10-15-6-8-2 3-19(15)24-11-16/h1-3,6,8 ,10-11,14,30H,4-5,7,9,12- 13H2,(H,23,24)(H,25,28)/t 22-/m0/s1; VAZWTOOMLWLRPN-QFIPXVFZSA-N |
c1cc(nc(c1)C(=O)NC[C@]2(CCN(C2)C(=O)c3cc 4cc[nH]c4nc3)O)C5CC5; OC1(CNC(=O)c2cccc( n2)C2CC2)CCN(C1)C(=O)c1cc2cc[NH]c2nc1; O [C]1(CCN(C1)C(=O)c2cnc3[nH]ccc3c2)CNC(=O )c4cccc(n4)C5CC5; c1cc(nc(c1)C(=O)NCC2(C CN(C2)C(=O)c3cc4cc[nH]c4nc3)O)C5CC5; O[C @@]1(CCN(C1)C(=O)c2cnc3[nH]ccc3c2)CNC(=O )c4cccc(n4)C5CC5 |
6-cyclopropyl-N-{[(3S)-3-hydroxy-1-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)pyrrolidin-3-yl]methyl}pyridine-2-carboxamide |
| 14149 | A1BKO | 1 | C15 H15 F N4 O | InChI=1S/C15H15FN4O/c1-15 (5-9(21)6-15)20-14-12-10- 3-2-8(16)4-11(10)19-13(12 )17-7-18-14/h2-4,7,9,21H, 5-6H2,1H3,(H2,17,18,19,20 )/t9-,15+; IQAXREQWKJSAIL-DXPFQBAHSA-N |
C[C]1(C[CH](O)C1)Nc2ncnc3[nH]c4cc(F)ccc4 c23; C[C@@]1(C[C@@H](O)C1)Nc2ncnc3[nH]c4 cc(F)ccc4c23; CC1(CC(C1)O)Nc2c3c4ccc(cc4 [nH]c3ncn2)F; OC1CC(C)(C1)Nc1ncnc2[NH]c3 cc(F)ccc3c12 |
(1s,3s)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]-3-methylcyclobutan-1-ol |
| 14150 | A1BKP | 1 | C16 H14 F N5 S | InChI=1S/C16H14FN5S/c1-2- 11(16-18-5-6-23-16)21-14- 13-10-4-3-9(17)7-12(10)22 -15(13)20-8-19-14/h3-8,11 H,2H2,1H3,(H2,19,20,21,22 )/t11-/m1/s1; JUVYFMYTTKNOIH-LLVKDONJSA-N |
CC[C@H](c1nccs1)Nc2c3c4ccc(cc4[nH]c3ncn2 )F; Fc1ccc2c3c(ncnc3[NH]c2c1)NC(CC)c1ncc s1; CC[C@@H](Nc1ncnc2[nH]c3cc(F)ccc3c12) c4sccn4; CC[CH](Nc1ncnc2[nH]c3cc(F)ccc3c 12)c4sccn4; CCC(c1nccs1)Nc2c3c4ccc(cc4[n H]c3ncn2)F |
7-fluoro-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-9H-pyrimido[4,5-b]indol-4-amine |
| 14151 | A1BKQ | 1 | C13 H14 Br N5 O | InChI=1S/C13H14BrN5O/c14- 8-3-1-2-4-9(8)19-13-10-7( 11(15)20)5-16-12(10)17-6- 18-13/h3,5-6,9H,1-2,4H2,( H2,15,20)(H2,16,17,18,19) /t9-/m0/s1; OITFOMNCKMCNBF-VIFPVBQESA-N |
c1c(c2c([nH]1)ncnc2NC3CCCC=C3Br)C(=O)N; NC(=O)c1c[nH]c2ncnc(N[C@H]3CCCC=C3Br)c12 ; c1c(c2c([nH]1)ncnc2N[C@H]3CCCC=C3Br)C( =O)N; NC(=O)c1c[nH]c2ncnc(N[CH]3CCCC=C3B r)c12; BrC1=CCCCC1Nc1ncnc2[NH]cc(c21)C(N )=O |
4-{[(1S)-2-bromocyclohex-2-en-1-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide |
| 14152 | A1BKS | 1 | C25 H29 F N4 O3 S | InChI=1S/C25H29FN4O3S/c1- 2-12-30(24-9-7-20-21(24)4 -3-5-22(20)26)25(31)17-10 -13-29(14-11-17)34(32,33) 19-6-8-23-18(15-19)16-27- 28-23/h3-6,8,15-17,24H,2, 7,9-14H2,1H3,(H,27,28)/t2 4-/m1/s1; ZAMIBFZZLIZYNL-XMMPIXPASA-N |
CCCN([C@@H]1CCc2c1cccc2F)C(=O)C3CCN(CC3) S(=O)(=O)c4ccc5c(c4)cn[nH]5; Fc1cccc2c1C CC2N(CCC)C(=O)C1CCN(CC1)S(=O)(=O)c1cc2cn [NH]c2cc1; CCCN([CH]1CCc2c(F)cccc12)C(=O )C3CCN(CC3)[S](=O)(=O)c4ccc5[nH]ncc5c4; CCCN(C1CCc2c1cccc2F)C(=O)C3CCN(CC3)S(=O) (=O)c4ccc5c(c4)cn[nH]5; CCCN([C@@H]1CCc2 c(F)cccc12)C(=O)C3CCN(CC3)[S](=O)(=O)c4c cc5[nH]ncc5c4 |
VU6007678 |
| 14153 | A1BKT | 6 | C16 H13 N3 O2 | InChI=1S/C16H13N3O2/c20-1 3-7-5-11(6-8-13)16-18-17- 15-10-21-14-4-2-1-3-12(14 )9-19(15)16/h1-8,20H,9-10 H2; YIVKZBDNZIXFKW-UHFFFAOYSA-N |
c1ccc2c(c1)Cn3c(nnc3c4ccc(cc4)O)CO2; Oc1 ccc(cc1)c2nnc3COc4ccccc4Cn23; Oc1ccc(cc1 )c1nnc2COc3ccccc3Cn21 |
4-[(4R)-5H,11H-[1,2,4]triazolo[3,4-c][1,4]benzoxazepin-3-yl]phenol |
| 14154 | A1BKU CHEMBL4937210 |
4 | C15 H17 N3 O2 | InChI=1S/C15H17N3O2/c1-10 (2)8-20-13-7-5-4-6-12(13) 18-15(19)14-11(3)16-9-17- 14/h4-7,9H,1,8H2,2-3H3,(H ,16,17)(H,18,19); SIXBZVSYBVYTRI-UHFFFAOYSA-N |
Cc1c([nH]cn1)C(=O)Nc2ccccc2OCC(=C)C; CC( =C)COc1ccccc1NC(=O)c2[nH]cnc2C; O=C(Nc1c cccc1OCC(=C)C)c1[NH]cnc1C |
4-methyl-N-{2-[(2-methylprop-2-en-1-yl)oxy]phenyl}-1H-imidazole-5-carboxamide |
| 14155 | A1BKV | 1 | C24 H27 Cl2 N5 O5 | InChI=1S/C24H27Cl2N5O5/c1 -13(2)10-17(29-22(33)18-1 1-15-16(28-18)7-4-8-19(15 )36-3)23(34)30-31(24(35)2 0(25)26)12-14-6-5-9-27-21 (14)32/h4-9,11,13,17,20,2 8H,10,12H2,1-3H3,(H,27,32 )(H,29,33)(H,30,34)/t17-/ m0/s1; XAQBZJZQCBKCJV-KRWDZBQOSA-N |
CC(C)CC(C(=O)NN(CC1=CC=CNC1=O)C(=O)C(Cl) Cl)NC(=O)c2cc3c([nH]2)cccc3OC; CC(C)C[C@ @H](C(=O)NN(CC1=CC=CNC1=O)C(=O)C(Cl)Cl)N C(=O)c2cc3c([nH]2)cccc3OC; O=C1NC=CC=C1C N(NC(=O)C(CC(C)C)NC(=O)c1cc2c(OC)cccc2[N H]1)C(=O)C(Cl)Cl; COc1cccc2[nH]c(cc12)C( =O)N[C@@H](CC(C)C)C(=O)NN(CC3=CC=CNC3=O) C(=O)C(Cl)Cl; COc1cccc2[nH]c(cc12)C(=O)N [CH](CC(C)C)C(=O)NN(CC3=CC=CNC3=O)C(=O)C (Cl)Cl |
N-[(2S)-1-{2-(dichloroacetyl)-2-[(2-oxo-1,2-dihydropyridin-3-yl)methyl]hydrazin-1-yl}-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide |
| 14156 | A1BKW | 1 | C22 H22 N6 O | InChI=1S/C22H22N6O/c23-21 -19-20(15-8-10-18(11-9-15 )29-17-6-2-1-3-7-17)27-28 (22(19)26-14-25-21)16-5-4 -12-24-13-16/h1-3,6-11,14 ,16,24H,4-5,12-13H2,(H2,2 3,25,26)/t16-/m0/s1; GPSQYTDPBDNDGI-INIZCTEOSA-N |
c1ccc(cc1)Oc2ccc(cc2)c3c4c(ncnc4n(n3)[C@ H]5CCCNC5)N; Nc1ncnc2n(nc(c3ccc(Oc4ccccc 4)cc3)c12)[C@H]5CCCNC5; Nc1ncnc2n(nc(c3c cc(Oc4ccccc4)cc3)c12)[CH]5CCCNC5; c1ccc( cc1)Oc2ccc(cc2)c3c4c(ncnc4n(n3)C5CCCNC5) N; Nc1ncnc2c1c(nn2C1CCCNC1)c1ccc(Oc2cccc c2)cc1 |
3-(4-phenoxyphenyl)-1-[(3S)-piperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| 14157 | A1BKX | 2 | C18 H16 Cl N3 O3 S2 | InChI=1S/C18H16ClN3O3S2/c 1-11-4-3-5-20-17(11)12-6- 16(26-10-12)18(23)21-14-7 -13(19)8-15(9-14)22-27(2, 24)25/h3-10,22H,1-2H3,(H, 21,23); VDGNPEFFHQRGOP-UHFFFAOYSA-N |
Cc1cccnc1c2cc(sc2)C(=O)Nc3cc(cc(c3)Cl)NS (=O)(=O)C; CS(=O)(=O)Nc1cc(cc(Cl)c1)NC(= O)c1cc(cs1)c1ncccc1C; Cc1cccnc1c2csc(c2) C(=O)Nc3cc(Cl)cc(N[S](C)(=O)=O)c3 |
(4M)-N-[3-chloro-5-(methanesulfonamido)phenyl]-4-(3-methylpyridin-2-yl)thiophene-2-carboxamide |
| 14158 | A1BKY | 1 | C18 H15 Br N2 O3 S2 | InChI=1S/C18H15BrN2O3S2/c 1-26(23,24)21-16-9-14(19) 8-15(10-16)20-18(22)17-7- 13(11-25-17)12-5-3-2-4-6- 12/h2-11,21H,1H3,(H,20,22 ); DNWYPUHSLKVZGL-UHFFFAOYSA-N |
C[S](=O)(=O)Nc1cc(Br)cc(NC(=O)c2scc(c2)c 3ccccc3)c1; CS(=O)(=O)Nc1cc(cc(c1)Br)NC( =O)c2cc(cs2)c3ccccc3; CS(=O)(=O)Nc1cc(cc (Br)c1)NC(=O)c1cc(cs1)c1ccccc1 |
N-[3-bromo-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide |
| 14159 | A1BKZ | 1 | C18 H16 N2 O3 S2 | InChI=1S/C18H16N2O3S2/c1- 25(22,23)20-16-9-5-8-15(1 1-16)19-18(21)17-10-14(12 -24-17)13-6-3-2-4-7-13/h2 -12,20H,1H3,(H,19,21); GMWBWXRCKWTKAO-UHFFFAOYSA-N |
CS(=O)(=O)Nc1cccc(c1)NC(=O)c2cc(cs2)c3cc ccc3; C[S](=O)(=O)Nc1cccc(NC(=O)c2scc(c2 )c3ccccc3)c1; CS(=O)(=O)Nc1cccc(c1)NC(=O )c1cc(cs1)c1ccccc1 |
N-[3-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide |
| 14160 | A1BL0 | 2 | C14 H10 F3 N O4 | InChI=1S/C14H10F3NO4/c15- 14(16,17)8-1-3-9(4-2-8)18 -13(21)10-5-6-22-11(10)7- 12(19)20/h1-6H,7H2,(H,18, 21)(H,19,20); UXFNAPYRMJRLSO-UHFFFAOYSA-N |
c1cc(ccc1C(F)(F)F)NC(=O)c2ccoc2CC(=O)O; O=C(Nc1ccc(cc1)C(F)(F)F)c1ccoc1CC(=O)O; OC(=O)Cc1occc1C(=O)Nc2ccc(cc2)C(F)(F)F |
(3-{[4-(trifluoromethyl)phenyl]carbamoyl}furan-2-yl)acetic acid |
| 14161 | A1BL1 CHEMBL4063315 |
1 | C9 H8 F3 N O | InChI=1S/C9H8F3NO/c1-6(14 )13-8-4-2-7(3-5-8)9(10,11 )12/h2-5H,1H3,(H,13,14); DFDHFECLWHHELH-UHFFFAOYSA-N |
O=C(C)Nc1ccc(cc1)C(F)(F)F; CC(=O)Nc1ccc( cc1)C(F)(F)F |
N-[4-(trifluoromethyl)phenyl]acetamide |
| 14162 | A1BL2 | 1 | C9 H5 F3 N4 O3 | InChI=1S/C9H5F3N4O3/c10-9 (11,12)19-6-3-1-5(2-4-6)1 6-14-7(8(17)18)13-15-16/h 1-4H,(H,17,18); ZXPOJTSLOPXWGR-UHFFFAOYSA-N |
OC(=O)c1nnn(n1)c2ccc(OC(F)(F)F)cc2; c1cc (ccc1n2nc(nn2)C(=O)O)OC(F)(F)F; FC(F)(F) Oc1ccc(cc1)n1nc(nn1)C(=O)O |
2-[4-(trifluoromethoxy)phenyl]-2H-tetrazole-5-carboxylic acid |
| 14163 | A1BL3 | 1 | C8 H7 Cl N2 O3 S | InChI=1S/C8H7ClN2O3S/c1-4 -2-7-6(3-5(4)9)10-8(12)11 -15(7,13)14/h2-3H,1H3,(H2 ,10,11,12); PCSYYCUZIRSAEC-UHFFFAOYSA-N |
Cc1cc2c(NC(=O)N[S]2(=O)=O)cc1Cl; Cc1cc2c (cc1Cl)NC(=O)NS2(=O)=O; Clc1cc2NC(=O)NS( =O)(=O)c2cc1C |
6-chloro-7-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione |
| 14164 | A1BL4 | 1 | C11 H11 N3 O2 | InChI=1S/C11H11N3O2/c12-8 -3-7(11(15)16)4-14-5-9(6- 1-2-6)13-10(8)14/h3-6H,1- 2,12H2,(H,15,16); SSRMPGBWVZOART-UHFFFAOYSA-N |
c1c(cn2cc(nc2c1N)C3CC3)C(=O)O; O=C(O)c1c c(N)c2nc(cn2c1)C1CC1; Nc1cc(cn2cc(nc12)C 3CC3)C(O)=O |
(4R)-8-amino-2-cyclopropylimidazo[1,2-a]pyridine-6-carboxylic acid |
| 14165 | A1BL5 | 1 | C6 H7 N3 O2 | InChI=1S/C6H7N3O2/c7-4-1- 3(6(10)11)2-9-5(4)8/h1-2H ,7H2,(H2,8,9)(H,10,11); AMUTYVGRCVFCCD-UHFFFAOYSA-N |
Nc1cc(cnc1N)C(=O)O; Nc1cc(cnc1N)C(O)=O; c1c(cnc(c1N)N)C(=O)O |
5,6-diaminopyridine-3-carboxylic acid |
| 14166 | A1BL6 | 1 | C19 H14 F3 N3 O3 S | InChI=1S/C19H14F3N3O3S/c2 0-19(21,22)11-6-8-13(9-7- 11)23-17(28)16-14(10-15(2 6)27)25-18(29-16)24-12-4- 2-1-3-5-12/h1-9H,10H2,(H, 23,28)(H,24,25)(H,26,27); JBIGLZIDGUEFSO-UHFFFAOYSA-N |
c1ccc(cc1)Nc2nc(c(s2)C(=O)Nc3ccc(cc3)C(F )(F)F)CC(=O)O; FC(F)(F)c1ccc(cc1)NC(=O)c 1sc(Nc2ccccc2)nc1CC(=O)O; OC(=O)Cc1nc(Nc 2ccccc2)sc1C(=O)Nc3ccc(cc3)C(F)(F)F |
(2-anilino-5-{[4-(trifluoromethyl)phenyl]carbamoyl}-1,3-thiazol-4-yl)acetic acid |
| 14167 | A1BL7 | 1 | C23 H20 F3 N7 O4 | InChI=1S/C23H20F3N7O4/c24 -23(25,26)15-1-3-16(4-2-1 5)30-20(36)19-14(11-18(34 )35)12-28-22(31-19)33-9-7 -32(8-10-33)21(37)17-5-6- 27-13-29-17/h1-6,12-13H,7 -11H2,(H,30,36)(H,34,35); JBOZOIPBSRMMEE-UHFFFAOYSA-N |
c1cc(ccc1C(F)(F)F)NC(=O)c2c(cnc(n2)N3CCN (CC3)C(=O)c4ccncn4)CC(=O)O; OC(=O)Cc1cnc (nc1C(=O)Nc2ccc(cc2)C(F)(F)F)N3CCN(CC3)C (=O)c4ccncn4; O=C(c1ccncn1)N1CCN(CC1)c1n c(C(=O)Nc2ccc(cc2)C(F)(F)F)c(CC(=O)O)cn1 |
(2-[4-(pyrimidine-4-carbonyl)piperazin-1-yl]-4-{[4-(trifluoromethyl)phenyl]carbamoyl}pyrimidin-5-yl)acetic acid |
| 14168 | A1BL8 | 1 | C29 H22 F3 N3 O4 S | InChI=1S/C29H22F3N3O4S/c3 0-29(31,32)18-9-11-20(12- 10-18)34-27(39)25-23(15-2 4(36)37)35-28(40-25)21-8- 4-5-16-13-17(14-22(16)21) 26(38)33-19-6-2-1-3-7-19/ h1-12,17H,13-15H2,(H,33,3 8)(H,34,39)(H,36,37)/t17- /m1/s1; SPEQVIALGGLTAG-QGZVFWFLSA-N |
c1ccc(cc1)NC(=O)C2Cc3cccc(c3C2)c4nc(c(s4 )C(=O)Nc5ccc(cc5)C(F)(F)F)CC(=O)O; c1ccc (cc1)NC(=O)[C@@H]2Cc3cccc(c3C2)c4nc(c(s4 )C(=O)Nc5ccc(cc5)C(F)(F)F)CC(=O)O; OC(=O )Cc1nc(sc1C(=O)Nc2ccc(cc2)C(F)(F)F)c3ccc c4C[CH](Cc34)C(=O)Nc5ccccc5; FC(F)(F)c1c cc(cc1)NC(=O)c1sc(nc1CC(=O)O)c1cccc2CC(C c12)C(=O)Nc1ccccc1; OC(=O)Cc1nc(sc1C(=O) Nc2ccc(cc2)C(F)(F)F)c3cccc4C[C@H](Cc34)C (=O)Nc5ccccc5 |
(2-[(2R)-2-(phenylcarbamoyl)-2,3-dihydro-1H-inden-4-yl]-5-{[4-(trifluoromethyl)phenyl]carbamoyl}-1,3-thiazol-4-yl)acetic acid |
| 14169 | A1BLA | 1 | C21 H18 N4 | InChI=1S/C21H18N4/c1-25(2 )19-14-23-21(20(24-19)16- 10-12-22-13-11-16)18-9-5- 7-15-6-3-4-8-17(15)18/h3- 14H,1-2H3; CDYRUKWQQPYHTN-UHFFFAOYSA-N |
CN(C)c1cnc(c2cccc3ccccc23)c(n1)c1ccncc1; CN(C)c1cnc(c(n1)c2ccncc2)c3cccc4c3cccc4 ; CN(C)c1cnc(c2cccc3ccccc23)c(n1)c4ccncc 4 |
(5P)-N,N-dimethyl-5-(naphthalen-1-yl)-6-(pyridin-4-yl)pyrazin-2-amine |
| 14170 | A1BLB | 1 | C22 H18 Cl2 N4 O4 S | InChI=1S/C22H18Cl2N4O4S/c 1-33(31,32)16-4-2-3-15(11 -16)26-22-25-12-13-9-18(1 7-6-5-14(23)10-19(17)24)2 1(30)28(7-8-29)20(13)27-2 2/h2-6,9-12,29H,7-8H2,1H3 ,(H,25,26,27); JNFJRESDJRZKPM-UHFFFAOYSA-N |
CS(=O)(=O)c1cccc(c1)Nc2ncc3c(n2)N(C(=O)C (=C3)c4ccc(cc4Cl)Cl)CCO; C[S](=O)(=O)c1c ccc(Nc2ncc3C=C(C(=O)N(CCO)c3n2)c4ccc(Cl) cc4Cl)c1; CS(=O)(=O)c1cccc(c1)Nc1ncc2C=C (C(=O)N(CCO)c2n1)c1ccc(Cl)cc1Cl |
(6M)-6-(2,4-dichlorophenyl)-8-(2-hydroxyethyl)-2-[3-(methanesulfonyl)anilino]pyrido[2,3-d]pyrimidin-7(8H)-one |
| 14171 | A1BLC CHEMBL3770885 |
1 | C20 H23 N5 O3 | InChI=1S/C20H23N5O3/c1-2- 28-15-4-3-12-9-13(11-23-1 6(12)10-15)18-17(20(22)26 )19(21)25(24-18)14-5-7-27 -8-6-14/h3-4,9-11,14H,2,5 -8,21H2,1H3,(H2,22,26); VTPYDZCVVYWSRL-UHFFFAOYSA-N |
NC(=O)c1c(nn(C2CCOCC2)c1N)c1cc2ccc(OCC)c c2nc1; CCOc1ccc2cc(cnc2c1)c3c(c(n(n3)C4C COCC4)N)C(=O)N; CCOc1ccc2cc(cnc2c1)c3nn( C4CCOCC4)c(N)c3C(N)=O |
(3P)-5-amino-3-(7-ethoxyquinolin-3-yl)-1-(oxan-4-yl)-1H-pyrazole-4-carboxamide |
| 14172 | A1BLD | 1 | C21 H22 Cl F N4 O2 | InChI=1S/C21H22ClFN4O2/c1 -2-29-19-11-14(22)3-6-18( 19)27-20(13-26-9-7-24-8-1 0-26)25-17-5-4-15(23)12-1 6(17)21(27)28/h3-6,11-12, 24H,2,7-10,13H2,1H3; IKQWOCVGRWGJLP-UHFFFAOYSA-N |
CCOc1cc(ccc1N2C(=Nc3ccc(cc3C2=O)F)CN4CCN CC4)Cl; CCOc1cc(Cl)ccc1N2C(=O)c3cc(F)ccc 3N=C2CN4CCNCC4; Clc1ccc(N2C(CN3CCNCC3)=N c3ccc(F)cc3C2=O)c(OCC)c1 |
(3P)-3-(4-chloro-2-ethoxyphenyl)-6-fluoro-2-[(piperazin-1-yl)methyl]quinazolin-4(3H)-one |
| 14173 | A1BLF | 1 | C32 H42 N8 O5 | InChI=1S/C32H42N8O5/c1-19 -6-8-39(9-7-19)32-37-27(1 2-30(38-32)36-24-15-40(16 -24)21(3)41)31(43)34-14-2 8(42)26-11-22-4-5-25(10-2 3(22)13-33-26)44-17-29-20 (2)35-18-45-29/h4-5,10,12 ,18-19,24,26,28,33,42H,6- 9,11,13-17H2,1-3H3,(H,34, 43)(H,36,37,38)/t26-,28+/ m0/s1; YORKMGQSIAFLDS-XTEPFMGCSA-N |
Cc1c(ocn1)COc2ccc3c(c2)CN[C@@H](C3)[C@@H ](CNC(=O)c4cc(nc(n4)N5CCC(CC5)C)NC6CN(C6 )C(=O)C)O; Cc1ncoc1COc1cc2CNC(Cc2cc1)C(O )CNC(=O)c1cc(NC2CN(C2)C(C)=O)nc(n1)N1CCC (C)CC1; Cc1c(ocn1)COc2ccc3c(c2)CNC(C3)C( CNC(=O)c4cc(nc(n4)N5CCC(CC5)C)NC6CN(C6)C (=O)C)O; CC1CCN(CC1)c2nc(NC3CN(C3)C(C)=O )cc(n2)C(=O)NC[C@@H](O)[C@@H]4Cc5ccc(OCc 6ocnc6C)cc5CN4; CC1CCN(CC1)c2nc(NC3CN(C3 )C(C)=O)cc(n2)C(=O)NC[CH](O)[CH]4Cc5ccc( OCc6ocnc6C)cc5CN4 |
6-[(1-acetylazetidin-3-yl)amino]-N-[(2R)-2-hydroxy-2-{(3S)-7-[(4-methyl-1,3-oxazol-5-yl)methoxy]-1,2,3,4-tetrahydroisoquinolin-3-yl}ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide |
| 14174 | A1BLG | 1 | C21 H26 N4 O2 | InChI=1S/C21H26N4O2/c26-1 9(18-10-14-4-1-2-5-16(14) 12-23-18)13-24-21(27)15-8 -9-22-20(11-15)25-17-6-3- 7-17/h1-2,4-5,8-9,11,17-1 9,23,26H,3,6-7,10,12-13H2 ,(H,22,25)(H,24,27)/t18-, 19+/m0/s1; JVNKVYGCQWKVQT-RBUKOAKNSA-N |
O[CH](CNC(=O)c1ccnc(NC2CCC2)c1)[CH]3Cc4c cccc4CN3; O[C@H](CNC(=O)c1ccnc(NC2CCC2)c 1)[C@@H]3Cc4ccccc4CN3; c1ccc2c(c1)C[C@H] (NC2)[C@@H](CNC(=O)c3ccnc(c3)NC4CCC4)O; c1ccc2c(c1)CC(NC2)C(CNC(=O)c3ccnc(c3)NC4 CCC4)O; O=C(NCC(O)C1Cc2ccccc2CN1)c1ccnc( NC2CCC2)c1 |
2-(cyclobutylamino)-N-{(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl}pyridine-4-carboxamide |
| 14175 | A1BLH | 8 | C27 H38 N6 O2 S | InChI=1S/C27H38N6O2S/c34- 25(13-3-2-12-24-26-23(20- 36-24)31-27(35)32-26)30-1 6-6-1-9-17-33(18-21-10-4- 7-14-28-21)19-22-11-5-8-1 5-29-22/h4-5,7-8,10-11,14 -15,23-24,26H,1-3,6,9,12- 13,16-20H2,(H,30,34)(H2,3 1,32,35)/t23-,24-,26-/m0/ s1; WXSQDQBSLPVFPS-GNKBHMEESA-N |
O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCCCC N(Cc3ccccn3)Cc4ccccn4; c1ccnc(c1)CN(CCCC CNC(=O)CCCCC2C3C(CS2)NC(=O)N3)Cc4ccccn4; O=C1NC2C(CCCCC(=O)NCCCCCN(Cc3ccccn3)Cc3 ccccn3)SCC2N1; c1ccnc(c1)CN(CCCCCNC(=O)C CCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)Cc4cc ccn4; O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@ H]12)NCCCCCN(Cc3ccccn3)Cc4ccccn4 |
N-(5-{bis[(pyridin-2-yl)methyl]amino}pentyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide |
| 14176 | A1BLI | 1 | C29 H36 N6 O2 | InChI=1S/C29H36N6O2/c1-33 -25(8-12-31-33)16-20-5-6- 23-18-34(13-9-21(23)15-20 )26-10-14-35(19-27(26)36) 29(37)22-7-11-30-28(17-22 )32-24-3-2-4-24/h5-8,11-1 2,15,17,24,26-27,36H,2-4, 9-10,13-14,16,18-19H2,1H3 ,(H,30,32)/t26-,27-/m1/s1; KQBRZVZHHHSTLW-KAYWLYCHSA-N |
Cn1nccc1Cc2ccc3CN(CCc3c2)[C@@H]4CCN(C[C@ H]4O)C(=O)c5ccnc(NC6CCC6)c5; Cn1nccc1Cc1 cc2CCN(Cc2cc1)C1CCN(CC1O)C(=O)c1ccnc(NC2 CCC2)c1; Cn1c(ccn1)Cc2ccc3c(c2)CCN(C3)C4 CCN(CC4O)C(=O)c5ccnc(c5)NC6CCC6; Cn1c(cc n1)Cc2ccc3c(c2)CCN(C3)[C@@H]4CCN(C[C@H]4 O)C(=O)c5ccnc(c5)NC6CCC6; Cn1nccc1Cc2ccc 3CN(CCc3c2)[CH]4CCN(C[CH]4O)C(=O)c5ccnc( NC6CCC6)c5 |
[2-(cyclobutylamino)pyridin-4-yl][(3R,4R)-3-hydroxy-4-{6-[(1-methyl-1H-pyrazol-5-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}piperidin-1-yl]methanone |
| 14177 | A1BLJ | 1 | C11 H11 Cl N4 | InChI=1S/C11H11ClN4/c1-16 (2)10-7-9(11(12)15-14-10) 8-3-5-13-6-4-8/h3-7H,1-2H 3; TXDDCILZWXYXEH-UHFFFAOYSA-N |
CN(C)c1cc(c2ccncc2)c(Cl)nn1; CN(C)c1cc(c (Cl)nn1)c2ccncc2; CN(C)c1cc(c(nn1)Cl)c2c cncc2 |
6-chloro-N,N-dimethyl-5-(pyridin-4-yl)pyridazin-3-amine |
| 14178 | A1BLK | 1 | C26 H32 N6 O3 | InChI=1S/C26H32N6O3/c33-2 3(14-28-26(34)20-6-8-27-2 5(11-20)31-22-2-1-3-22)16 -32-9-7-19-10-24(5-4-21(1 9)15-32)35-17-18-12-29-30 -13-18/h4-6,8,10-13,22-23 ,33H,1-3,7,9,14-17H2,(H,2 7,31)(H,28,34)(H,29,30)/t 23-/m0/s1; RZWXTFQVEJMJIR-QHCPKHFHSA-N |
c1cc2c(cc1OCc3c[nH]nc3)CCN(C2)CC(CNC(=O) c4ccnc(c4)NC5CCC5)O; O=C(NCC(O)CN1CCc2cc (ccc2C1)OCc1c[NH]nc1)c1ccnc(NC2CCC2)c1; c1cc2c(cc1OCc3c[nH]nc3)CCN(C2)C[C@H](CNC (=O)c4ccnc(c4)NC5CCC5)O; O[CH](CNC(=O)c1 ccnc(NC2CCC2)c1)CN3CCc4cc(OCc5c[nH]nc5)c cc4C3; O[C@@H](CNC(=O)c1ccnc(NC2CCC2)c1) CN3CCc4cc(OCc5c[nH]nc5)ccc4C3 |
2-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-{6-[(1H-pyrazol-4-yl)methoxy]-3,4-dihydroisoquinolin-2(1H)-yl}propyl]pyridine-4-carboxamide |
| 14179 | A1BLL | 1 | C27 H34 N6 O3 | InChI=1S/C27H34N6O3/c1-32 -23(8-11-30-32)18-36-25-6 -5-21-16-33(12-9-19(21)13 -25)17-24(34)15-29-27(35) 20-7-10-28-26(14-20)31-22 -3-2-4-22/h5-8,10-11,13-1 4,22,24,34H,2-4,9,12,15-1 8H2,1H3,(H,28,31)(H,29,35 )/t24-/m0/s1; GFGQHCBSGMMJNF-DEOSSOPVSA-N |
Cn1nccc1COc2ccc3CN(CCc3c2)C[C@@H](O)CNC( =O)c4ccnc(NC5CCC5)c4; Cn1c(ccn1)COc2ccc3 c(c2)CCN(C3)C[C@H](CNC(=O)c4ccnc(c4)NC5C CC5)O; Cn1c(ccn1)COc2ccc3c(c2)CCN(C3)CC( CNC(=O)c4ccnc(c4)NC5CCC5)O; Cn1nccc1COc2 ccc3CN(CCc3c2)C[CH](O)CNC(=O)c4ccnc(NC5C CC5)c4; Cn1nccc1COc1cc2CCN(CC(O)CNC(=O)c 3ccnc(NC4CCC4)c3)Cc2cc1 |
2-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-{6-[(1-methyl-1H-pyrazol-5-yl)methoxy]-3,4-dihydroisoquinolin-2(1H)-yl}propyl]pyridine-4-carboxamide |
| 14180 | A1BLM CHEMBL4466233 DB19170 |
1 | C24 H32 N6 O3 | InChI=1S/C24H32N6O3/c1-17 (31)30-10-7-20(8-11-30)28 -23-12-22(26-16-27-23)24( 33)25-13-21(32)15-29-9-6- 18-4-2-3-5-19(18)14-29/h2 -5,12,16,20-21,32H,6-11,1 3-15H2,1H3,(H,25,33)(H,26 ,27,28)/t21-/m0/s1; JLCCNYVTIWRPIZ-NRFANRHFSA-N |
CC(=O)N1CCC(CC1)Nc2cc(ncn2)C(=O)NC[C@@H] (CN3CCc4ccccc4C3)O; CC(=O)N1CCC(CC1)Nc1c c(ncn1)C(=O)NCC(O)CN1Cc2ccccc2CC1; CC(=O )N1CCC(CC1)Nc2cc(ncn2)C(=O)NCC(CN3CCc4cc ccc4C3)O; CC(=O)N1CCC(CC1)Nc2cc(ncn2)C(= O)NC[CH](O)CN3CCc4ccccc4C3; CC(=O)N1CCC( CC1)Nc2cc(ncn2)C(=O)NC[C@H](O)CN3CCc4ccc cc4C3 |
pemrametostat; GSK3326595; 6-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide |
| 14181 | A1BLN | 4 | C24 H35 N7 O4 | InChI=1S/C24H35N7O4/c1-3- 4-17(7-8-32)28-23-22-18(2 9-24(25)30-23)11-27-31(22 )12-16-9-15(5-6-21(16)34- 2)10-26-19-13-35-14-20(19 )33/h5-6,9,11,17,19-20,26 ,32-33H,3-4,7-8,10,12-14H 2,1-2H3,(H3,25,28,29,30)/ t17-,19+,20+/m0/s1; INQBZKHDECICSJ-DFQSSKMNSA-N |
CCCC(CCO)Nc1c2c(cnn2Cc3cc(ccc3OC)CNC4COC C4O)nc(n1)N; CCC[C@@H](CCO)Nc1nc(N)nc2cn n(Cc3cc(CN[C@@H]4COC[C@H]4O)ccc3OC)c12; CCC[CH](CCO)Nc1nc(N)nc2cnn(Cc3cc(CN[CH]4 COC[CH]4O)ccc3OC)c12; CCC[C@@H](CCO)Nc1c 2c(cnn2Cc3cc(ccc3OC)CN[C@@H]4COC[C@H]4O) nc(n1)N; OC1COCC1NCc1ccc(OC)c(Cn2ncc3nc( N)nc(NC(CCC)CCO)c32)c1 |
(3S,4R)-4-[({3-[(5-amino-7-{[(3S)-1-hydroxyhexan-3-yl]amino}-1H-pyrazolo[4,3-d]pyrimidin-1-yl)methyl]-4-methoxyphenyl}methyl)amino]oxolan-3-ol |
| 14182 | A1BLO | 4 | C29 H38 N6 O4 | InChI=1S/C29H38N6O4/c1-3- 6-20(11-12-36)32-28-27-26 (33-29(30)34-28)21-7-4-5- 8-23(21)35(27)15-19-13-18 (9-10-25(19)38-2)14-31-22 -16-39-17-24(22)37/h4-5,7 -10,13,20,22,24,31,36-37H ,3,6,11-12,14-17H2,1-2H3, (H3,30,32,33,34)/t20-,22+ ,24+/m0/s1; GOSKAGBBCZLSSL-BGWNEDDSSA-N |
CCC[CH](CCO)Nc1nc(N)nc2c3ccccc3n(Cc4cc(C N[CH]5COC[CH]5O)ccc4OC)c12; OC1COCC1NCc1 ccc(OC)c(Cn2c3ccccc3c3nc(N)nc(NC(CCC)CCO )c32)c1; CCC[C@@H](CCO)Nc1nc(N)nc2c3cccc c3n(Cc4cc(CN[C@@H]5COC[C@H]5O)ccc4OC)c12 ; CCCC(CCO)Nc1c2c(c3ccccc3n2Cc4cc(ccc4OC )CNC5COCC5O)nc(n1)N; CCC[C@@H](CCO)Nc1c2 c(c3ccccc3n2Cc4cc(ccc4OC)CN[C@@H]5COC[C@ H]5O)nc(n1)N |
(3S,4R)-4-[({3-[(2-amino-4-{[(3S)-1-hydroxyhexan-3-yl]amino}-5H-pyrimido[5,4-b]indol-5-yl)methyl]-4-methoxyphenyl}methyl)amino]oxolan-3-ol |
| 14183 | A1BLP | 1 | C20 H23 F3 N4 O | InChI=1S/C20H23F3N4O/c1-2 7-9-3-4-13(11-27)24-19-15 -6-2-5-14(15)18(25-26-19) 16-8-7-12(10-17(16)28)20( 21,22)23/h7-8,10,13,28H,2 -6,9,11H2,1H3,(H,24,26)/t 13-/m1/s1; RNMZAJDQUZRCLD-CYBMUJFWSA-N |
CN1CCCC(Nc2nnc(c3ccc(cc3O)C(F)(F)F)c3CCC c23)C1; CN1CCC[C@H](C1)Nc2nnc(c3CCCc23)c 4ccc(cc4O)C(F)(F)F; CN1CCCC(C1)Nc2c3c(c( nn2)c4ccc(cc4O)C(F)(F)F)CCC3; CN1CCC[C@H ](C1)Nc2c3c(c(nn2)c4ccc(cc4O)C(F)(F)F)CC C3; CN1CCC[CH](C1)Nc2nnc(c3CCCc23)c4ccc( cc4O)C(F)(F)F |
(2P)-2-(4-{[(3R)-1-methylpiperidin-3-yl]amino}-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl)-5-(trifluoromethyl)phenol |
| 14184 | A1BLQ | 1 | C21 H25 F3 N4 O | InChI=1S/C21H25F3N4O/c1-2 8-10-4-5-14(12-28)25-20-1 6-7-3-2-6-15(16)19(26-27- 20)17-9-8-13(11-18(17)29) 21(22,23)24/h8-9,11,14,29 H,2-7,10,12H2,1H3,(H,25,2 7)/t14-/m1/s1; YVCOPUPWDKEPBL-CQSZACIVSA-N |
CN1CCCC(Nc2nnc(c3ccc(cc3O)C(F)(F)F)c3CCC Cc23)C1; CN1CCC[C@H](C1)Nc2nnc(c3CCCCc23 )c4ccc(cc4O)C(F)(F)F; CN1CCCC(C1)Nc2c3c( c(nn2)c4ccc(cc4O)C(F)(F)F)CCCC3; CN1CCC[ C@H](C1)Nc2c3c(c(nn2)c4ccc(cc4O)C(F)(F)F )CCCC3; CN1CCC[CH](C1)Nc2nnc(c3CCCCc23)c 4ccc(cc4O)C(F)(F)F |
(2P)-2-(4-{[(3R)-1-methylpiperidin-3-yl]amino}-5,6,7,8-tetrahydrophthalazin-1-yl)-5-(trifluoromethyl)phenol |
| 14185 | A1BLR | 1 | C17 H19 F3 N4 O | InChI=1S/C17H19F3N4O/c1-2 4-8-2-3-12(10-24)21-16-7- 6-14(22-23-16)13-5-4-11(9 -15(13)25)17(18,19)20/h4- 7,9,12,25H,2-3,8,10H2,1H3 ,(H,21,23)/t12-/m1/s1; CDQFNDRUBJQABO-GFCCVEGCSA-N |
CN1CCCC(C1)Nc2ccc(nn2)c3ccc(cc3O)C(F)(F) F; CN1CCC[CH](C1)Nc2ccc(nn2)c3ccc(cc3O)C (F)(F)F; CN1CCC[C@H](C1)Nc2ccc(nn2)c3ccc (cc3O)C(F)(F)F; CN1CCCC(Nc2ccc(nn2)c2ccc (cc2O)C(F)(F)F)C1 |
(2M)-2-(6-{[(3R)-1-methylpiperidin-3-yl]amino}pyridazin-3-yl)-5-(trifluoromethyl)phenol |
| 14186 | A1BLT | 5 | C29 H38 N6 O3 | InChI=1S/C29H38N6O3/c1-3- 6-21(11-13-36)32-28-27-26 (33-29(30)34-28)23-7-4-5- 8-24(23)35(27)17-20-15-19 (9-10-25(20)37-2)16-31-22 -12-14-38-18-22/h4-5,7-10 ,15,21-22,31,36H,3,6,11-1 4,16-18H2,1-2H3,(H3,30,32 ,33,34)/t21-,22-/m0/s1; IIFCCEWBZBDLAS-VXKWHMMOSA-N |
CCCC(CCO)Nc1c2c(c3ccccc3n2Cc4cc(ccc4OC)C NC5CCOC5)nc(n1)N; CCC[C@@H](CCO)Nc1c2c(c 3ccccc3n2Cc4cc(ccc4OC)CN[C@H]5CCOC5)nc(n 1)N; CCC[CH](CCO)Nc1nc(N)nc2c3ccccc3n(Cc 4cc(CN[CH]5CCOC5)ccc4OC)c12; CCCC(CCO)Nc 1nc(N)nc2c3ccccc3n(Cc3cc(CNC4CCOC4)ccc3O C)c21; CCC[C@@H](CCO)Nc1nc(N)nc2c3ccccc3 n(Cc4cc(CN[C@H]5CCOC5)ccc4OC)c12 |
(3S)-3-[(2-amino-5-{[2-methoxy-5-({[(3S)-oxolan-3-yl]amino}methyl)phenyl]methyl}-5H-pyrimido[5,4-b]indol-4-yl)amino]hexan-1-ol |
| 14187 | A1BLV | 1 | C25 H26 N6 | InChI=1S/C25H26N6/c1-27-2 5-29-23(17-6-4-8-19(14-17 )31-12-2-3-13-31)15-24(30 -25)28-22-11-10-20-18(16- 26)7-5-9-21(20)22/h4-9,14 -15,22H,2-3,10-13H2,1H3,( H2,27,28,29,30)/t22-/m1/s 1; AAOXHEZQAFYPKY-JOCHJYFZSA-N |
CNc1nc(N[CH]2CCc3c(cccc23)C#N)cc(n1)c4cc cc(c4)N5CCCC5; CNc1nc(cc(n1)NC2CCc3c2ccc c3C#N)c4cccc(c4)N5CCCC5; N#Cc1cccc2c1CCC 2Nc1cc(nc(NC)n1)c1cccc(c1)N1CCCC1; CNc1n c(cc(n1)N[C@@H]2CCc3c2cccc3C#N)c4cccc(c4 )N5CCCC5; CNc1nc(N[C@@H]2CCc3c(cccc23)C# N)cc(n1)c4cccc(c4)N5CCCC5 |
(1R)-1-({(6M)-2-(methylamino)-6-[3-(pyrrolidin-1-yl)phenyl]pyrimidin-4-yl}amino)-2,3-dihydro-1H-indene-4-carbonitrile |
| 14188 | A1BLX | 8 | C23 H21 F N2 O6 | InChI=1S/C23H21FN2O6/c1-2 -32-20-10-14(8-18(23(20)2 9)26(30)31)16-11-21(28)25 -17-7-13(9-19(27)22(16)17 )12-3-5-15(24)6-4-12/h3-6 ,8,10,13,16,29H,2,7,9,11H 2,1H3,(H,25,28)/t13-,16+/ m1/s1; ZIQMAORRANWURA-CJNGLKHVSA-N |
CCOc1cc(cc(c1O)[N](=O)=O)[CH]2CC(=O)NC3= C2C(=O)C[CH](C3)c4ccc(F)cc4; CCOc1cc(cc( c1O)N(=O)=O)C2CC(=O)NC3=C2C(=O)CC(C3)c4c cc(cc4)F; O=N(=O)c1cc(cc(OCC)c1O)C1CC(=O )NC=2CC(CC(=O)C1=2)c1ccc(F)cc1; CCOc1cc( cc(c1O)N(=O)=O)[C@@H]2CC(=O)NC3=C2C(=O)C [C@@H](C3)c4ccc(cc4)F; CCOc1cc(cc(c1O)[N ](=O)=O)[C@@H]2CC(=O)NC3=C2C(=O)C[C@@H]( C3)c4ccc(F)cc4 |
(4S,7R)-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7-(4-fluorophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione |
| 14189 | A1BLY CHEMBL1885037 |
1 | C10 H F19 O2 | InChI=1S/C10HF19O2/c11-2( 12,1(30)31)3(13,14)4(15,1 6)5(17,18)6(19,20)7(21,22 )8(23,24)9(25,26)10(27,28 )29/h(H,30,31); PCIUEQPBYFRTEM-UHFFFAOYSA-N |
FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F )C(F)(F)C(F)(F)C(F)(F)C(F)(F)F; OC(=O)C( F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F) C(F)(F)C(F)(F)C(F)(F)F; C(=O)(C(C(C(C(C( C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F) (F)F)(F)F)(F)F)O |
nonadecafluorodecanoic acid |
| 14190 | A1BLZ | 8 | C19 H18 F6 N2 O3 S2 | InChI=1S/C19H18F6N2O3S2/c 1-17(2,32(29,30)15-8-7-12 (11-27-15)18(20,21)22)16( 28)26-9-10-31-14-6-4-3-5- 13(14)19(23,24)25/h3-8,11 H,9-10H2,1-2H3,(H,26,28); LUNHBUGYRUFQHM-UHFFFAOYSA-N |
CC(C)(C(=O)NCCSc1ccccc1C(F)(F)F)S(=O)(=O )c2ccc(cn2)C(F)(F)F; O=S(=O)(c1ccc(cn1)C (F)(F)F)C(C)(C)C(=O)NCCSc1ccccc1C(F)(F)F ; CC(C)(C(=O)NCCSc1ccccc1C(F)(F)F)[S](=O )(=O)c2ccc(cn2)C(F)(F)F |
2-methyl-N-(2-{[2-(trifluoromethyl)phenyl]sulfanyl}ethyl)-2-[5-(trifluoromethyl)pyridine-2-sulfonyl]propanamide |
| 14191 | A1BM0 CHEMBL4745946 |
2 | C17 H15 Cl2 N9 O | InChI=1S/C17H15Cl2N9O/c1- 9(2)15-12(8-20-14-6-13(19 )26-27(14)15)25-17(29)24- 10-5-11(18)16(21-7-10)28- 22-3-4-23-28/h3-9H,1-2H3, (H2,24,25,29); GSQOTVHUYJQPDR-UHFFFAOYSA-N |
CC(C)c1n2nc(Cl)cc2ncc1NC(=O)Nc1cnc(c(Cl) c1)n1nccn1; CC(C)c1c(cnc2n1nc(c2)Cl)NC(= O)Nc3cc(c(nc3)n4nccn4)Cl; CC(C)c1n2nc(Cl )cc2ncc1NC(=O)Nc3cnc(n4nccn4)c(Cl)c3 |
N-[(8R)-2-chloro-7-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-N'-[5-chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl]urea |
| 14192 | A1BM1 CHEMBL319543 |
2 | C10 H10 N2 | InChI=1S/C10H10N2/c1-11-1 0-7-6-8-4-2-3-5-9(8)12-10 /h2-7H,1H3,(H,11,12); POVSMFKXVSNGSU-UHFFFAOYSA-N |
CNc1ccc2ccccc2n1 | N-methylquinolin-2-amine |
| 14193 | A1BM2 | 2 | C10 H13 N3 | InChI=1S/C10H13N3/c1-10(2 ,3)8-7-13-6-4-5-11-9(13)1 2-8/h4-7H,1-3H3; QCKNMBVCXLZFHY-UHFFFAOYSA-N |
CC(C)(C)c1cn2cccnc2n1 | (4S)-2-tert-butylimidazo[1,2-a]pyrimidine |
| 14194 | A1BM3 | 2 | C10 H15 N3 O | InChI=1S/C10H15N3O/c1-4-1 3(5-2)10(14)9-6-7-11-8(3) 12-9/h6-7H,4-5H2,1-3H3; MBLSTDCRYDGJKF-UHFFFAOYSA-N |
CCN(CC)C(=O)c1ccnc(n1)C; CCN(CC)C(=O)c1c cnc(C)n1; O=C(c1ccnc(C)n1)N(CC)CC |
N,N-diethyl-2-methylpyrimidine-4-carboxamide |
| 14195 | A1BM4 CHEMBL5013924 |
2 | C10 H14 N2 O2 S | InChI=1S/C10H14N2O2S/c1-7 -6-15-10(11-7)12-9(13)8-2 -4-14-5-3-8/h6,8H,2-5H2,1 H3,(H,11,12,13); QIRPROGVHFZLPG-UHFFFAOYSA-N |
Cc1csc(n1)NC(=O)C2CCOCC2; Cc1csc(NC(=O)C 2CCOCC2)n1 |
N-(4-methyl-1,3-thiazol-2-yl)oxane-4-carboxamide |
| 14196 | A1BM5 | 2 | C7 H13 N O3 | InChI=1S/C7H13NO3/c8-7(10 )6(9)5-1-3-11-4-2-5/h5-6, 9H,1-4H2,(H2,8,10); KOEHHYFUIVEIQO-UHFFFAOYSA-N |
NC(=O)[CH](O)C1CCOCC1; NC(=O)[C@@H](O)C1 CCOCC1; C1COCCC1C(C(=O)N)O; C1COCCC1[C@@ H](C(=O)N)O; OC(C(N)=O)C1CCOCC1 |
(2S)-2-hydroxy-2-(oxan-4-yl)acetamide |
| 14197 | A1BM6 | 4 | C7 H12 N2 O | InChI=1S/C7H12N2O/c10-7-8 -5-6-3-1-2-4-9(6)7/h6H,1- 5H2,(H,8,10)/t6-/m0/s1; QIWVINXQBDDSBJ-LURJTMIESA-N |
C1CCN2[C@@H](C1)CNC2=O; O=C1NCC2CCCCN12; C1CCN2C(C1)CNC2=O; O=C1NC[C@@H]2CCCCN12 ; O=C1NC[CH]2CCCCN12 |
(4S,8aS)-hexahydroimidazo[1,5-a]pyridin-3(2H)-one |
| 14198 | A1BM8 | 2 | C21 H18 F N5 O5 S | InChI=1S/C21H18FN5O5S/c1- 12(28)25-6-8-26(9-7-25)18 -5-4-16(27(31)32)19(23-18 )13-2-3-15(22)14(10-13)11 -17-20(29)24-21(30)33-17/ h2-5,10-11H,6-9H2,1H3,(H, 24,29,30)/b17-11+; WZGVKWZJGXGNDP-GZTJUZNOSA-N |
CC(=O)N1CCN(CC1)c2ccc(c(n2)c3ccc(c(c3)C= C4C(=O)NC(=O)S4)F)N(=O)=O; CC(=O)N1CCN(C C1)c2ccc(c(n2)c3ccc(c(c3)/C=C/4\C(=O)NC( =O)S4)F)N(=O)=O; CC(=O)N1CCN(CC1)c2ccc(c (n2)c3ccc(F)c(C=C4SC(=O)NC4=O)c3)[N](=O) =O; CC(=O)N1CCN(CC1)c2ccc(c(n2)c3ccc(F)c (\C=C/4SC(=O)NC/4=O)c3)[N](=O)=O; O=C1NC (=O)S\C1=C\c1cc(ccc1F)c1nc(ccc1N(=O)=O)N 1CCN(CC1)C(C)=O |
(5E)-5-({(5P)-5-[6-(4-acetylpiperazin-1-yl)-3-nitropyridin-2-yl]-2-fluorophenyl}methylidene)-1,3-thiazolidine-2,4-dione |
| 14199 | A1BM9 | 1 | C16 H F31 O2 | InChI=1S/C16HF31O2/c17-2( 18,1(48)49)3(19,20)4(21,2 2)5(23,24)6(25,26)7(27,28 )8(29,30)9(31,32)10(33,34 )11(35,36)12(37,38)13(39, 40)14(41,42)15(43,44)16(4 5,46)47/h(H,48,49); OJMBMWRMTMHMSZ-UHFFFAOYSA-N |
FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F )C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F) (F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F; C(=O)( C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F) F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F) F)(F)F)(F)F)(F)F)(F)F)(F)F)O; OC(=O)C(F) (F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C( F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F) C(F)(F)C(F)(F)C(F)(F)F |
hentriacontafluorohexadecanoic acid |
| 14200 | A1BMD | 1 | C23 H27 F3 N4 O2 | InChI=1S/C23H27F3N4O2/c1- 13-16(4-3-5-18(13)23(24,2 5)26)14(2)28-21-29-19-6-7 -27-10-17(19)20(31)30(21) 15-8-22(9-15)11-32-12-22/ h3-5,14-15,27H,6-12H2,1-2 H3,(H,28,29)/t14-/m1/s1; PYRHXRXTFLTMDD-CQSZACIVSA-N |
C[CH](NC1=NC2=C(CNCC2)C(=O)N1C3CC4(COC4) C3)c5cccc(c5C)C(F)(F)F; Cc1c(cccc1C(F)(F )F)C(C)NC2=NC3=C(CNCC3)C(=O)N2C4CC5(C4)C OC5; Cc1c(cccc1C(F)(F)F)[C@@H](C)NC2=NC3 =C(CNCC3)C(=O)N2C4CC5(C4)COC5; C[C@@H](N C1=NC2=C(CNCC2)C(=O)N1C3CC4(COC4)C3)c5cc cc(c5C)C(F)(F)F; FC(F)(F)c1cccc(c1C)C(C) NC1=NC=2CCNCC=2C(=O)N1C1CC2(C1)COC2 |
2-({(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}amino)-3-(2-oxaspiro[3.3]heptan-6-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one |