 | | OZC | | Name: | (3S)-3-(4-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one | | Formula: | C20 H17 Cl N2 O | | SMILES: | Clc1ccc(cc1)C1CCCN(c2cncc3ccccc23)C1=O | | InChi: | InChI=1S/C20H17ClN2O/c21-16-9-7-14(8-10-16)18-6-3-11-23(20(18)24)19-13-22-12-15-4-1-2-5-17(15)19/h1-2,4-5,7-10,12-13,18H,3,6,11H2/t18-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (3S)-3-(4-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one |
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 | | VW2 | | Name: | N-[2-(2-{[(4R)-6-chloro-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide | | Formula: | C21 H20 Cl N3 O3 | | SMILES: | CCC(=O)N(C)CCOc1ccccc1Oc1cc(Cl)cn2cc(cc12)C#N | | InChi: | InChI=1S/C21H20ClN3O3/c1-3-21(26)24(2)8-9-27-18-6-4-5-7-19(18)28-20-11-16(22)14-25-13-15(12-23)10-17(20)25/h4-7,10-11,13-14H,3,8-9H2,1-2H3 | | Definition date: | 2023-09-19 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-[2-(2-{[(4R)-6-chloro-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide |
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 | | R0Q | | Name: | methyl ({(4R)-6-chloro-4-[(isoquinolin-4-yl)carbamoyl]-3,4-dihydro-2H-1-benzopyran-4-yl}methyl)carbamate | | Formula: | C22 H20 Cl N3 O4 | | SMILES: | O=C(OC)NCC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C22H20ClN3O4/c1-29-21(28)25-13-22(8-9-30-19-7-6-15(23)10-17(19)22)20(27)26-18-12-24-11-14-4-2-3-5-16(14)18/h2-7,10-12H,8-9,13H2,1H3,(H,25,28)(H,26,27)/t22-/m0/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | methyl ({(4R)-6-chloro-4-[(isoquinolin-4-yl)carbamoyl]-3,4-dihydro-2H-1-benzopyran-4-yl}methyl)carbamate |
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 | | RT9 | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(1-methoxycyclopropyl)methanesulfonyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C24 H22 Cl N3 O5 S | | SMILES: | COC1(CC1)CS(=O)(=O)N1CC(c2cc(Cl)ccc2C1=O)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C24H22ClN3O5S/c1-33-24(8-9-24)14-34(31,32)28-13-20(19-10-16(25)6-7-18(19)23(28)30)22(29)27-21-12-26-11-15-4-2-3-5-17(15)21/h2-7,10-12,20H,8-9,13-14H2,1H3,(H,27,29)/t20-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(1-methoxycyclopropyl)methanesulfonyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | S7U | | Name: | 1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-piperidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile | | Formula: | C27 H25 Cl N4 O3 S | | SMILES: | N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(CCCN(C2=O)c2cncc3ccccc32)C1 | | InChi: | InChI=1S/C27H25ClN4O3S/c28-21-7-6-20-15-31(36(34,35)18-26(16-29)9-10-26)17-27(23(20)12-21)8-3-11-32(25(27)33)24-14-30-13-19-4-1-2-5-22(19)24/h1-2,4-7,12-14H,3,8-11,15,17-18H2/t27-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-piperidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile |
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 | | VWB | | Name: | 5-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}naphthalene-2-carbonitrile | | Formula: | C24 H22 N2 O3 | | SMILES: | O=C(CCOc1ccccc1Oc1cccc2cc(C#N)ccc21)N1CCCC1 | | InChi: | InChI=1S/C24H22N2O3/c25-17-18-10-11-20-19(16-18)6-5-9-21(20)29-23-8-2-1-7-22(23)28-15-12-24(27)26-13-3-4-14-26/h1-2,5-11,16H,3-4,12-15H2 | | Definition date: | 2023-09-19 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 5-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}naphthalene-2-carbonitrile |
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 | | T1F | | Name: | (4R)-1-[1-[(S)-[1-cyclopentyl-3-(2-methylphenyl)pyrazol-4-yl]-(4-methylphenyl)methyl]-2-oxidanylidene-pyridin-3-yl]-3-methyl-2-oxidanylidene-N-(3-oxidanylidene-2-azabicyclo[2.2.2]octan-4-yl)imidazolidine-4-carboxamide | | Formula: | C40 H45 N7 O4 | | SMILES: | CN1[CH](CN(C1=O)C2=CC=CN([CH](c3ccc(C)cc3)c4cn(nc4c5ccccc5C)C6CCCC6)C2=O)C(=O)NC78CCC(CC7)NC8=O | | InChi: | InChI=1S/C40H45N7O4/c1-25-14-16-27(17-15-25)35(31-23-47(29-10-5-6-11-29)43-34(31)30-12-7-4-9-26(30)2)45-22-8-13-32(37(45)49)46-24-33(44(3)39(46)51)36(48)42-40-20-18-28(19-21-40)41-38(40)50/h4,7-9,12-17,22-23,28-29,33,35H,5-6,10-11,18-21,24H2,1-3H3,(H,41,50)(H,42,48)/t28-,33-,35+,40-/m1/s1 | | Definition date: | 2023-04-19 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4~{R})-1-[1-[(~{S})-[1-cyclopentyl-3-(2-methylphenyl)pyrazol-4-yl]-(4-methylphenyl)methyl]-2-oxidanylidene-pyridin-3-yl]-3-methyl-2-oxidanylidene-~{N}-(3-oxidanylidene-2-azabicyclo[2.2.2]octan-4-yl)imidazolidine-4-carboxamide |
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 | | OKW | | Name: | 2-(3-chlorophenyl)-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)acetamide | | Formula: | C16 H15 Cl N2 O | | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2CCCc21 | | InChi: | InChI=1S/C16H15ClN2O/c17-13-5-1-3-11(7-13)8-16(20)19-15-10-18-9-12-4-2-6-14(12)15/h1,3,5,7,9-10H,2,4,6,8H2,(H,19,20) | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)acetamide |
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 | | VWK | | Name: | 3-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}-N,N-dimethylpropanamide | | Formula: | C22 H20 N2 O3 | | SMILES: | CN(C)C(=O)CCOc1ccccc1Oc1cccc2cc(C#N)ccc21 | | InChi: | InChI=1S/C22H20N2O3/c1-24(2)22(25)12-13-26-20-7-3-4-8-21(20)27-19-9-5-6-17-14-16(15-23)10-11-18(17)19/h3-11,14H,12-13H2,1-2H3 | | Definition date: | 2023-09-19 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 3-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}-N,N-dimethylpropanamide |
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 | | ASX | | Name: | ASP/ASN AMBIGUOUS | | Formula: | C4 H6 N O2 X2 | | SMILES: | C(C[CH](N)C(O)=O)(=[F,Cl,Br,I])[F,Cl,Br,I] | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 |
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 | | OZX | | Name: | 2-(6-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide | | Formula: | C16 H12 Cl N3 O | | SMILES: | Clc1cccc(CC(=O)Nc2cncc3ccccc32)n1 | | InChi: | InChI=1S/C16H12ClN3O/c17-15-7-3-5-12(19-15)8-16(21)20-14-10-18-9-11-4-1-2-6-13(11)14/h1-7,9-10H,8H2,(H,20,21) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(6-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide |
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 | | UNK | | Name: | UNKNOWN | | Formula: | C4 H9 N O2 | | SMILES: | O=C(O)C(N)CC | | InChi: | InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2-aminobutanoic acid |
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 | | RTS | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-2-[2-(methylamino)-2-oxoethyl]-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide | | Formula: | C22 H21 Cl N4 O4 S | | SMILES: | CNC(=O)CN1CC(C)(c2cc(Cl)ccc2S1(=O)=O)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C22H21ClN4O4S/c1-22(21(29)26-18-11-25-10-14-5-3-4-6-16(14)18)13-27(12-20(28)24-2)32(30,31)19-8-7-15(23)9-17(19)22/h3-11H,12-13H2,1-2H3,(H,24,28)(H,26,29)/t22-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-2-[2-(methylamino)-2-oxoethyl]-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide |
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 | | VWU | | Name: | 2-chloro-N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}acetamide | | Formula: | C17 H13 Cl3 N2 O2 | | SMILES: | Clc1ccc(cc1Oc1cc(C#N)cc(Cl)c1)CCNC(=O)CCl | | InChi: | InChI=1S/C17H13Cl3N2O2/c18-9-17(23)22-4-3-11-1-2-15(20)16(7-11)24-14-6-12(10-21)5-13(19)8-14/h1-2,5-8H,3-4,9H2,(H,22,23) | | Definition date: | 2023-09-19 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-chloro-N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}acetamide |
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 | | LQ0 | | Name: | 2-(6-chloro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide | | Formula: | C16 H14 Cl N3 O | | SMILES: | Cc1ccncc1NC(=O)Cn1ccc2ccc(Cl)cc21 | | InChi: | InChI=1S/C16H14ClN3O/c1-11-4-6-18-9-14(11)19-16(21)10-20-7-5-12-2-3-13(17)8-15(12)20/h2-9H,10H2,1H3,(H,19,21) | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(6-chloro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide |
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 | | R1I | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C22 H22 Cl N3 O2 | | SMILES: | Clc1ccc2CN(CC(c2c1)C(=O)Nc1cncc2ccccc21)CCOC | | InChi: | InChI=1S/C22H22ClN3O2/c1-28-9-8-26-13-16-6-7-17(23)10-19(16)20(14-26)22(27)25-21-12-24-11-15-4-2-3-5-18(15)21/h2-7,10-12,20H,8-9,13-14H2,1H3,(H,25,27)/t20-/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | XAW | | Name: | [(3s,5s,7s)-adamantan-1-yl][4-(2-amino-5-chlorophenyl)piperazin-1-yl]methanone | | Formula: | C21 H28 Cl N3 O | | SMILES: | O=C(N1CCN(CC1)c1cc(Cl)ccc1N)C12CC3CC(C1)CC(C3)C2 | | InChi: | InChI=1S/C21H28ClN3O/c22-17-1-2-18(23)19(10-17)24-3-5-25(6-4-24)20(26)21-11-14-7-15(12-21)9-16(8-14)13-21/h1-2,10,14-16H,3-9,11-13,23H2/t14-,15+,16-,21- | | Definition date: | 2022-11-08 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | [(3s,5s,7s)-adamantan-1-yl][4-(2-amino-5-chlorophenyl)piperazin-1-yl]methanone |
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 | | R1U | | Name: | 2-(3-chlorophenyl)-N-(1-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide | | Formula: | C15 H13 Cl N4 O | | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2cnn(C)c12 | | InChi: | InChI=1S/C15H13ClN4O/c1-20-15-11(8-18-20)7-17-9-13(15)19-14(21)6-10-3-2-4-12(16)5-10/h2-5,7-9H,6H2,1H3,(H,19,21) | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-(1-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide |
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 | | P0X | | Name: | 4-[4-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]quinolin-2(1H)-one | | Formula: | C20 H16 Cl N3 O3 | | SMILES: | O=C(C1=CC(=O)Nc2ccccc21)N1CC(=O)N(CC1)c1cccc(Cl)c1 | | InChi: | InChI=1S/C20H16ClN3O3/c21-13-4-3-5-14(10-13)24-9-8-23(12-19(24)26)20(27)16-11-18(25)22-17-7-2-1-6-15(16)17/h1-7,10-11H,8-9,12H2,(H,22,25) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 4-[4-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]quinolin-2(1H)-one |
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 | | LR0 | | Name: | (7R)-N-(4-acetamidopyridin-3-yl)-4-fluorobicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide | | Formula: | C16 H14 F N3 O2 | | SMILES: | O=C(Nc1cnccc1NC(C)=O)C1Cc2ccc(F)cc21 | | InChi: | InChI=1S/C16H14FN3O2/c1-9(21)19-14-4-5-18-8-15(14)20-16(22)13-6-10-2-3-11(17)7-12(10)13/h2-5,7-8,13H,6H2,1H3,(H,20,22)(H,18,19,21)/t13-/m1/s1 | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (7R)-N-(4-acetamidopyridin-3-yl)-4-fluorobicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide |
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 | | NDI | | Name: | 2-(4-acetylpiperazin-1-yl)-N-(4-methylpyridin-3-yl)acetamide | | Formula: | C14 H20 N4 O2 | | SMILES: | O=C(CN1CCN(CC1)C(C)=O)Nc1cnccc1C | | InChi: | InChI=1S/C14H20N4O2/c1-11-3-4-15-9-13(11)16-14(20)10-17-5-7-18(8-6-17)12(2)19/h3-4,9H,5-8,10H2,1-2H3,(H,16,20) | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(4-acetylpiperazin-1-yl)-N-(4-methylpyridin-3-yl)acetamide |
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 | | R2L | | Name: | (4R)-6-chloro-N-[4-methyl-5-(methylamino)pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C17 H18 Cl N3 O2 | | SMILES: | Cc1c(NC)cncc1NC(=O)C1CCOc2ccc(Cl)cc21 | | InChi: | InChI=1S/C17H18ClN3O2/c1-10-14(19-2)8-20-9-15(10)21-17(22)12-5-6-23-16-4-3-11(18)7-13(12)16/h3-4,7-9,12,19H,5-6H2,1-2H3,(H,21,22)/t12-/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-[4-methyl-5-(methylamino)pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | RV0 | | Name: | (4S)-6-chloro-4-ethyl-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide | | Formula: | C20 H18 Cl N3 O3 S | | SMILES: | Clc1ccc2c(c1)C(CNS2(=O)=O)(CC)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C20H18ClN3O3S/c1-2-20(12-23-28(26,27)18-8-7-14(21)9-16(18)20)19(25)24-17-11-22-10-13-5-3-4-6-15(13)17/h3-11,23H,2,12H2,1H3,(H,24,25)/t20-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-4-ethyl-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide |
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 | | LRC | | Name: | 2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide | | Formula: | C13 H12 Cl N3 O | | SMILES: | O=C(Nc1cnccc1C)Cc1cc(Cl)cnc1 | | InChi: | InChI=1S/C13H12ClN3O/c1-9-2-3-15-8-12(9)17-13(18)5-10-4-11(14)7-16-6-10/h2-4,6-8H,5H2,1H3,(H,17,18) | | Definition date: | 2023-08-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide |
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 | | VY0 | | Name: | macrocyclic inhibitor | | Formula: | C17 H19 N7 O | | SMILES: | O=C1NCCCCCNc2nc(Nc3cc1[nH]n3)c4ccccc4n2 | | InChi: | InChI=1S/C17H19N7O/c25-16-13-10-14(24-23-13)21-15-11-6-2-3-7-12(11)20-17(22-15)19-9-5-1-4-8-18-16/h2-3,6-7,10H,1,4-5,8-9H2,(H,18,25)(H3,19,20,21,22,23,24) | | Definition date: | 2023-09-20 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 |
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