 | | UOP | | Name: | 4-(6-cyanopyridazin-3-yl)-N-[4-(propan-2-yl)phenyl]-3,4-dihydropyrazine-1(2H)-carboxamide | | Formula: | C19 H20 N6 O | | SMILES: | CC(C)c1ccc(cc1)NC(=O)N3C=CN(c2ccc(nn2)C#N)CC3 | | InChi: | InChI=1S/C19H20N6O/c1-14(2)15-3-5-16(6-4-15)21-19(26)25-11-9-24(10-12-25)18-8-7-17(13-20)22-23-18/h3-9,11,14H,10,12H2,1-2H3,(H,21,26) | | Definition date: | 2020-05-26 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | 4-(6-cyanopyridazin-3-yl)-N-[4-(propan-2-yl)phenyl]-3,4-dihydropyrazine-1(2H)-carboxamide |
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 | | S9B | | Name: | isoquinoline-5-carboxylic acid | | Formula: | C10 H7 N O2 | | SMILES: | OC(=O)c1cccc2cnccc12 | | InChi: | InChI=1S/C10H7NO2/c12-10(13)9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,(H,12,13) | | Definition date: | 2020-11-12 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | isoquinoline-5-carboxylic acid |
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 | | YPM | | Name: | (1s,3R,5S,7s)-N-[(1r,4r)-4-aminocyclohexyl]-3,5-diphenyladamantane-1-carboxamide | | Formula: | C29 H36 N2 O | | SMILES: | O=C(NC1CCC(N)CC1)C12CC3CC(CC(C3)(C1)c1ccccc1)(C2)c1ccccc1 | | InChi: | InChI=1S/C29H36N2O/c30-24-11-13-25(14-12-24)31-26(32)29-17-21-15-27(19-29,22-7-3-1-4-8-22)18-28(16-21,20-29)23-9-5-2-6-10-23/h1-10,21,24-25H,11-20,30H2,(H,31,32)/t21-,24-,25-,27-,28+,29- | | Definition date: | 2021-03-19 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | (1s,3R,5S,7s)-N-[(1r,4r)-4-aminocyclohexyl]-3,5-diphenyladamantane-1-carboxamide |
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 | | UOS | | Name: | 1-[4-(5-chloropyrazin-2-yl)piperazin-1-yl]-2-[4-(propan-2-yl)phenyl]ethan-1-one | | Formula: | C19 H23 Cl N4 O | | SMILES: | c1(cnc(cn1)N3CCN(C(Cc2ccc(cc2)C(C)C)=O)CC3)Cl | | InChi: | InChI=1S/C19H23ClN4O/c1-14(2)16-5-3-15(4-6-16)11-19(25)24-9-7-23(8-10-24)18-13-21-17(20)12-22-18/h3-6,12-14H,7-11H2,1-2H3 | | Definition date: | 2020-05-26 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | 1-[4-(5-chloropyrazin-2-yl)piperazin-1-yl]-2-[4-(propan-2-yl)phenyl]ethan-1-one |
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 | | YPS | | Name: | (1R,3S,5R,7R)-N-[(1r,4R)-4-aminocyclohexyl]-3-(ethoxymethyl)-5-phenyladamantane-1-carboxamide | | Formula: | C26 H38 N2 O2 | | SMILES: | O=C(NC1CCC(N)CC1)C12CC3CC(CC(COCC)(C3)C1)(C2)c1ccccc1 | | InChi: | InChI=1S/C26H38N2O2/c1-2-30-18-24-12-19-13-25(15-24,20-6-4-3-5-7-20)17-26(14-19,16-24)23(29)28-22-10-8-21(27)9-11-22/h3-7,19,21-22H,2,8-18,27H2,1H3,(H,28,29)/t19-,21-,22-,24-,25+,26-/m0/s1 | | Definition date: | 2021-03-19 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | (1R,3S,5R,7R)-N-[(1r,4R)-4-aminocyclohexyl]-3-(ethoxymethyl)-5-phenyladamantane-1-carboxamide |
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 | | RWH | | Name: | 3-(3-methyl-3-phenethylureido)benzenesulfonamide | | Formula: | C16 H19 N3 O3 S | | SMILES: | CN(CCc1ccccc1)C(=O)Nc2cccc(c2)[S](N)(=O)=O | | InChi: | InChI=1S/C16H19N3O3S/c1-19(11-10-13-6-3-2-4-7-13)16(20)18-14-8-5-9-15(12-14)23(17,21)22/h2-9,12H,10-11H2,1H3,(H,18,20)(H2,17,21,22) | | Synonyms: | 1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea | | Definition date: | 2020-10-27 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | 1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea |
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 | | TV8 | | Name: | (2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-4-methoxy-5-[6-(methylamino)purin-9-yl]oxolan-3-ol | | Formula: | C12 H17 N5 O4 | | SMILES: | CNc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3OC | | InChi: | InChI=1S/C12H17N5O4/c1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(20-2)8(19)6(3-18)21-12/h4-6,8-9,12,18-19H,3H2,1-2H3,(H,13,14,15)/t6-,8+,9-,12-/m1/s1 | | Definition date: | 2021-01-13 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | (2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-4-methoxy-5-[6-(methylamino)purin-9-yl]oxolan-3-ol |
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 | | 7UK | | Name: | (R)-4-hydroxy-2-pyrrolidone | | Formula: | C4 H7 N O2 | | SMILES: | O[CH]1CNC(=O)C1 | | InChi: | InChI=1S/C4H7NO2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7)/t3-/m1/s1 | | Synonyms: | (4R)-4-oxidanylpyrrolidin-2-one | | Definition date: | 2021-09-01 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | (4~{R})-4-oxidanylpyrrolidin-2-one |
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 | | 7IH | | Name: | N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide | | Formula: | C18 H21 N5 O2 | | SMILES: | CC(C)C1CNC(=O)c2cc(nn12)c1ccnc(NC(=O)C2CC2)c1 | | InChi: | InChI=1S/C18H21N5O2/c1-10(2)15-9-20-18(25)14-8-13(22-23(14)15)12-5-6-19-16(7-12)21-17(24)11-3-4-11/h5-8,10-11,15H,3-4,9H2,1-2H3,(H,20,25)(H,19,21,24)/t15-/m0/s1 | | Definition date: | 2021-08-12 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide |
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 | | 7IK | | Name: | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one | | Formula: | C14 H22 N4 O2 | | SMILES: | CC(C)C1CNC(=O)c2cc(nn21)N1CCOCC1C | | InChi: | InChI=1S/C14H22N4O2/c1-9(2)12-7-15-14(19)11-6-13(16-18(11)12)17-4-5-20-8-10(17)3/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,15,19)/t10-,12+/m1/s1 | | Definition date: | 2021-08-12 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one |
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 | | 7IQ | | Name: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one | | Formula: | C14 H20 N4 O2 | | SMILES: | O=C1NC2CCCC2n2nc(cc21)N1CCOCC1C | | InChi: | InChI=1S/C14H20N4O2/c1-9-8-20-6-5-17(9)13-7-12-14(19)15-10-3-2-4-11(10)18(12)16-13/h7,9-11H,2-6,8H2,1H3,(H,15,19)/t9-,10+,11-/m1/s1 | | Definition date: | 2021-08-12 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one |
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 | | 7OT | | Name: | SPHEROIDENE | | Formula: | C41 H60 O | | SMILES: | COC(C)(C)CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C | | InChi: | InChI=1S/C41H60O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-16,18-22,24-28,30-32H,14,17,23,29,33H2,1-11H3/b13-12+,24-15+,25-16+,30-18+,32-19+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+ | | Synonyms: | (6E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene | | Definition date: | 2021-08-13 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | (6~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E},28~{E})-31-methoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene |
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 | | 7PW | | Name: | N-[(1R)-2-(1H-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide | | Formula: | C32 H22 F3 N5 O2 | | SMILES: | Fc1ccc(cc1)c1cc(F)c(c(F)c1)C(Cn1ccnc1)NC(=O)c1ccc(cc1)c1nnc(o1)c1ccccc1 | | InChi: | InChI=1S/C32H22F3N5O2/c33-25-12-10-20(11-13-25)24-16-26(34)29(27(35)17-24)28(18-40-15-14-36-19-40)37-30(41)21-6-8-23(9-7-21)32-39-38-31(42-32)22-4-2-1-3-5-22/h1-17,19,28H,18H2,(H,37,41)/t28-/m0/s1 | | Definition date: | 2021-08-17 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | N-[(1R)-2-(1H-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide |
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 | | HFX | | Name: | 1-chloranyl-3-methylsulfinyl-6,7-dihydro-5H-2-benzothiophen-4-one | | Formula: | C9 H9 Cl O2 S2 | | SMILES: | C[S](=O)c1sc(Cl)c2CCCC(=O)c12 | | InChi: | InChI=1S/C9H9ClO2S2/c1-14(12)9-7-5(8(10)13-9)3-2-4-6(7)11/h2-4H2,1H3/t14-/m0/s1 | | Definition date: | 2021-01-06 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | 1-chloranyl-3-methylsulfinyl-6,7-dihydro-5~{H}-2-benzothiophen-4-one |
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 | | H80 | | Name: | [2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol | | Formula: | C21 H24 N2 O3 S | | SMILES: | COc1ccc2nc3c(CO)cc(OC)cc3c(SC[CH]4CCNC4)c2c1 | | InChi: | InChI=1S/C21H24N2O3S/c1-25-15-3-4-19-17(8-15)21(27-12-13-5-6-22-10-13)18-9-16(26-2)7-14(11-24)20(18)23-19/h3-4,7-9,13,22,24H,5-6,10-12H2,1-2H3/t13-/m0/s1 | | Definition date: | 2020-11-24 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | [2,7-dimethoxy-9-[[(3~{S})-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol |
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 | | H8U | | Name: | Paraherquamide A | | Formula: | C28 H35 N3 O5 | | SMILES: | CN1C(=O)[C]23C[CH]4C(C)(C)[C]5(C[C]14CN2CC[C]3(C)O)C(=O)Nc6c7OC=CC(C)(C)Oc7ccc56 | | InChi: | InChI=1S/C28H35N3O5/c1-23(2)10-12-35-20-17(36-23)8-7-16-19(20)29-21(32)27(16)14-26-15-31-11-9-25(5,34)28(31,22(33)30(26)6)13-18(26)24(27,3)4/h7-8,10,12,18,34H,9,11,13-15H2,1-6H3,(H,29,32)/t18-,25+,26+,27+,28-/m0/s1 | | Definition date: | 2020-11-27 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 |
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 | | J1O | | Name: | 4-[[(2R)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]butanoic acid | | Formula: | C10 H20 N O8 P | | SMILES: | CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCCC(O)=O | | InChi: | InChI=1S/C10H20NO8P/c1-10(2,6-19-20(16,17)18)8(14)9(15)11-5-3-4-7(12)13/h8,14H,3-6H2,1-2H3,(H,11,15)(H,12,13)(H2,16,17,18)/t8-/m0/s1 | | Definition date: | 2021-03-19 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | 4-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]butanoic acid |
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 | | J8F | | Name: | 4-[(~{Z})-1-cyano-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethenyl]benzenecarbonitrile | | Formula: | C19 H17 N3 O | | SMILES: | CN(CCO)c1ccc(cc1)C=C(C#N)c2ccc(cc2)C#N | | InChi: | InChI=1S/C19H17N3O/c1-22(10-11-23)19-8-4-15(5-9-19)12-18(14-21)17-6-2-16(13-20)3-7-17/h2-9,12,23H,10-11H2,1H3/b18-12+ | | Definition date: | 2021-04-23 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | 4-[(~{Z})-1-cyano-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethenyl]benzenecarbonitrile |
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 | | J8L | | Name: | 4-[(~{Z})-1-cyano-2-[5-[2-(dimethylamino)ethyl-methyl-amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile | | Formula: | C19 H20 N6 | | SMILES: | CN(C)CCN(C)c1cnc(cn1)C=C(C#N)c2ccc(cc2)C#N | | InChi: | InChI=1S/C19H20N6/c1-24(2)8-9-25(3)19-14-22-18(13-23-19)10-17(12-21)16-6-4-15(11-20)5-7-16/h4-7,10,13-14H,8-9H2,1-3H3/b17-10+ | | Definition date: | 2021-04-23 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | 4-[(~{Z})-1-cyano-2-[5-[2-(dimethylamino)ethyl-methyl-amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile |
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 | | J8O | | Name: | 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile | | Formula: | C17 H15 N5 O | | SMILES: | CN(CCO)c1cnc(cn1)C=C(C#N)c2ccc(cc2)C#N | | InChi: | InChI=1S/C17H15N5O/c1-22(6-7-23)17-12-20-16(11-21-17)8-15(10-19)14-4-2-13(9-18)3-5-14/h2-5,8,11-12,23H,6-7H2,1H3/b15-8+ | | Definition date: | 2021-04-23 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile |
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 | | J8R | | Name: | 4-[(~{Z})-1-cyano-2-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]ethenyl]benzenecarbonitrile | | Formula: | C18 H16 N4 O | | SMILES: | CN(CCO)c1ccc(cn1)C=C(C#N)c2ccc(cc2)C#N | | InChi: | InChI=1S/C18H16N4O/c1-22(8-9-23)18-7-4-15(13-21-18)10-17(12-20)16-5-2-14(11-19)3-6-16/h2-7,10,13,23H,8-9H2,1H3/b17-10+ | | Definition date: | 2021-04-26 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | 4-[(~{Z})-1-cyano-2-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]ethenyl]benzenecarbonitrile |
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 | | J8U | | Name: | 4-[(~{Z})-1-cyano-2-[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethenyl]benzenecarbonitrile | | Formula: | C21 H22 N4 | | SMILES: | CN(C)CCN(C)c1ccc(cc1)C=C(C#N)c2ccc(cc2)C#N | | InChi: | InChI=1S/C21H22N4/c1-24(2)12-13-25(3)21-10-6-17(7-11-21)14-20(16-23)19-8-4-18(15-22)5-9-19/h4-11,14H,12-13H2,1-3H3/b20-14+ | | Definition date: | 2021-04-26 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | 4-[(~{Z})-1-cyano-2-[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethenyl]benzenecarbonitrile |
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 | | J8X | | Name: | (~{E})-2-(1,3-benzoxazol-2-yl)-3-[4-[2-hydroxyethyl(methyl)amino]phenyl]prop-2-enenitrile | | Formula: | C19 H17 N3 O2 | | SMILES: | CN(CCO)c1ccc(cc1)C=C(C#N)c2oc3ccccc3n2 | | InChi: | InChI=1S/C19H17N3O2/c1-22(10-11-23)16-8-6-14(7-9-16)12-15(13-20)19-21-17-4-2-3-5-18(17)24-19/h2-9,12,23H,10-11H2,1H3/b15-12+ | | Definition date: | 2021-04-26 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | (~{E})-2-(1,3-benzoxazol-2-yl)-3-[4-[2-hydroxyethyl(methyl)amino]phenyl]prop-2-enenitrile |
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 | | J93 | | Name: | 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile | | Formula: | C19 H15 N3 O S2 | | SMILES: | CN(CCO)c1sc2cc(sc2c1)C=C(C#N)c3ccc(cc3)C#N | | InChi: | InChI=1S/C19H15N3OS2/c1-22(6-7-23)19-10-18-17(25-19)9-16(24-18)8-15(12-21)14-4-2-13(11-20)3-5-14/h2-5,8-10,23H,6-7H2,1H3/b15-8+ | | Definition date: | 2021-04-26 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile |
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 | | JA9 | | Name: | 6-[2,3-bis(chloranyl)phenoxy]-5-chloranyl-2-methylsulfanyl-1H-benzimidazole | | Formula: | C14 H9 Cl3 N2 O S | | SMILES: | CSc1[nH]c2cc(Oc3cccc(Cl)c3Cl)c(Cl)cc2n1 | | InChi: | InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19) | | Synonyms: | Triclabendazole | | Definition date: | 2021-05-07 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | 6-[2,3-bis(chloranyl)phenoxy]-5-chloranyl-2-methylsulfanyl-1~{H}-benzimidazole |
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