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    N O HN OH N H
    OJG
    Name:N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide
    Formula:C16 H21 N3 O2
    SMILES:C(CNC(=O)Cc1ccccc1)CCc2ncc(CO)n2
    InChi:InChI=1S/C16H21N3O2/c20-12-14-11-18-15(19-14)8-4-5-9-17-16(21)10-13-6-2-1-3-7-13/h1-3,6-7,11,20H,4-5,8-10,12H2,(H,17,21)(H,18,19)
    Definition date:2019-06-26
    Last modified:2019-12-06
    Release date:2019-12-11
    Identifier:N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide
    N O CH 3 O HO N NH
    OJJ
    Name:methyl benzyl{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
    Formula:C17 H23 N3 O3
    SMILES:OCc2cnc(CCCCN(Cc1ccccc1)C(OC)=O)n2
    InChi:InChI=1S/C17H23N3O3/c1-23-17(22)20(12-14-7-3-2-4-8-14)10-6-5-9-16-18-11-15(13-21)19-16/h2-4,7-8,11,21H,5-6,9-10,12-13H2,1H3,(H,18,19)
    Definition date:2019-06-26
    Last modified:2019-12-06
    Release date:2019-12-11
    Identifier:methyl benzyl{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
    CH 3 N H N O HO O
    OJM
    Name:ethyl 3-[4-(hydroxymethyl)-1H-imidazol-2-yl]propanoate
    Formula:C9 H14 N2 O3
    SMILES:c1c(nc(CCC(=O)OCC)n1)CO
    InChi:InChI=1S/C9H14N2O3/c1-2-14-9(13)4-3-8-10-5-7(6-12)11-8/h5,12H,2-4,6H2,1H3,(H,10,11)
    Definition date:2019-06-26
    Last modified:2019-12-06
    Release date:2019-12-11
    Identifier:ethyl 3-[4-(hydroxymethyl)-1H-imidazol-2-yl]propanoate
    CH 2 NH N N H O HO
    OJP
    Name:N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}prop-2-enamide
    Formula:C11 H17 N3 O2
    SMILES:c1c(nc(CCCCNC(/C=C)=O)n1)CO
    InChi:InChI=1S/C11H17N3O2/c1-2-11(16)12-6-4-3-5-10-13-7-9(8-15)14-10/h2,7,15H,1,3-6,8H2,(H,12,16)(H,13,14)
    Definition date:2019-06-26
    Last modified:2019-12-06
    Release date:2019-12-11
    Identifier:N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}prop-2-enamide
    O N H N OH NH 2 HO
    OJY
    Name:5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvaline
    Formula:C9 H15 N3 O3
    SMILES:C(c1nc(CO)cn1)CCC(C(=O)O)N
    InChi:InChI=1S/C9H15N3O3/c10-7(9(14)15)2-1-3-8-11-4-6(5-13)12-8/h4,7,13H,1-3,5,10H2,(H,11,12)(H,14,15)/t7-/m0/s1
    Definition date:2019-06-26
    Last modified:2019-12-06
    Release date:2019-12-11
    Identifier:5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvaline
    O H 2 N CH 3 H 3 C O NH HN OH N N H H 3 C O NH CH 3 O
    OK4
    Name:N-acetyl-L-alanyl-5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvalyl-L-valinamide
    Formula:C19 H32 N6 O5
    SMILES:C(=O)(C)NC(C)C(=O)NC(C(=O)NC(C(N)=O)C(C)C)CCCc1nc(CO)cn1
    InChi:InChI=1S/C19H32N6O5/c1-10(2)16(17(20)28)25-19(30)14(24-18(29)11(3)22-12(4)27)6-5-7-15-21-8-13(9-26)23-15/h8,10-11,14,16,26H,5-7,9H2,1-4H3,(H2,20,28)(H,21,23)(H,22,27)(H,24,29)(H,25,30)/t11-,14-,16-/m0/s1
    Definition date:2019-06-26
    Last modified:2019-12-06
    Release date:2019-12-11
    Identifier:N-acetyl-L-alanyl-5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvalyl-L-valinamide
    CH 3 N CH 3 N N CH 3 O CH 3 HO
    OWY
    Name:4-[(R)-[(2S,5R)-4-benzyl-2,5-dimethylpiperazin-1-yl](3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
    Formula:C31 H39 N3 O2
    SMILES:CCN(CC)C(c1ccc(cc1)C(c2cccc(c2)O)N3C(CN(C(C3)C)Cc4ccccc4)C)=O
    InChi:InChI=1S/C31H39N3O2/c1-5-32(6-2)31(36)27-17-15-26(16-18-27)30(28-13-10-14-29(35)19-28)34-21-23(3)33(20-24(34)4)22-25-11-8-7-9-12-25/h7-19,23-24,30,35H,5-6,20-22H2,1-4H3/t23-,24+,30-/m1/s1
    Definition date:2019-07-15
    Last modified:2019-12-06
    Release date:2019-12-11
    Identifier:4-[(R)-[(2S,5R)-4-benzyl-2,5-dimethylpiperazin-1-yl](3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
    NH F F F F F F CH 3
    OXJ
    Name:1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine
    Formula:C10 H9 F6 N
    SMILES:CNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
    InChi:InChI=1S/C10H9F6N/c1-17-5-6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-4,17H,5H2,1H3
    Definition date:2019-07-15
    Last modified:2019-12-06
    Release date:2019-12-11
    Identifier:1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine
    Cl O OH O N
    Q54
    Name:(3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalene]-7-carboxylic acid
    Formula:C24 H26 Cl N O3
    SMILES:c5c(Cl)cc4CCCC2(COc1ccc(cc1N(C2)CC3CCC3)C(O)=O)c4c5
    InChi:InChI=1S/C24H26ClNO3/c25-19-7-8-20-17(11-19)5-2-10-24(20)14-26(13-16-3-1-4-16)21-12-18(23(27)28)6-9-22(21)29-15-24/h6-9,11-12,16H,1-5,10,13-15H2,(H,27,28)/t24-/m0/s1
    Definition date:2019-09-23
    Last modified:2019-12-06
    Release date:2019-12-11
    Identifier:(3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalene]-7-carboxylic acid
    O HO Cl O N HO
    Q57
    Name:(2R)-[(3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalen]-7-yl](hydroxy)acetic acid
    Formula:C25 H28 Cl N O4
    SMILES:c5c(Cl)cc4c(C2(COc1ccc(C(O)C(O)=O)cc1N(C2)CC3CCC3)CCC4)c5
    InChi:InChI=1S/C25H28ClNO4/c26-19-7-8-20-17(11-19)5-2-10-25(20)14-27(13-16-3-1-4-16)21-12-18(23(28)24(29)30)6-9-22(21)31-15-25/h6-9,11-12,16,23,28H,1-5,10,13-15H2,(H,29,30)/t23-,25+/m1/s1
    Definition date:2019-09-23
    Last modified:2019-12-06
    Release date:2019-12-11
    Identifier:(2R)-[(3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalen]-7-yl](hydroxy)acetic acid
    OH O N N N N CH 3
    QGV
    Name:(2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]methanone
    Formula:C19 H14 N4 O2
    SMILES:n2cc(cc3c(C)nn(c1ncccc1)c23)C(=O)c4ccccc4O
    InChi:InChI=1S/C19H14N4O2/c1-12-15-10-13(18(25)14-6-2-3-7-16(14)24)11-21-19(15)23(22-12)17-8-4-5-9-20-17/h2-11,24H,1H3
    Definition date:2019-10-29
    Last modified:2019-12-06
    Release date:2019-12-11
    Identifier:(2-hydroxyphenyl)[3-methyl-1-(pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl]methanone
    NH 2 S O N HN O N F
    QJJ
    Name:N-{(1S,2S)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide
    Formula:C15 H17 F N4 O2 S
    SMILES:C(NC1CC1C32N=C(N)SCC2COC3)(=O)c4ccc(cn4)F
    InChi:InChI=1S/C15H17FN4O2S/c16-9-1-2-11(18-4-9)13(21)19-12-3-10(12)15-7-22-5-8(15)6-23-14(17)20-15/h1-2,4,8,10,12H,3,5-7H2,(H2,17,20)(H,19,21)/t8-,10-,12-,15-/m0/s1
    Definition date:2019-11-05
    Last modified:2019-12-06
    Release date:2019-12-11
    Identifier:N-{(1S,2S)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide
    O NH 2 S O N N H N F
    QJM
    Name:N-{(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide
    Formula:C15 H17 F N4 O2 S
    SMILES:C1C(C1NC(=O)c2ccc(cn2)F)C34C(COC3)CSC(=N4)N
    InChi:InChI=1S/C15H17FN4O2S/c16-9-1-2-11(18-4-9)13(21)19-12-3-10(12)15-7-22-5-8(15)6-23-14(17)20-15/h1-2,4,8,10,12H,3,5-7H2,(H2,17,20)(H,19,21)/t8-,10+,12+,15-/m0/s1
    Definition date:2019-11-05
    Last modified:2019-12-06
    Release date:2019-12-11
    Identifier:N-{(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide
    S NH 2 N O N H H 3 C O
    QJP
    Name:(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide
    Formula:C15 H23 N3 O2 S
    SMILES:O=C(C1CC1C32COCC3CSC(N)=N2)NCC4C(C)C4
    InChi:InChI=1S/C15H23N3O2S/c1-8-2-9(8)4-17-13(19)11-3-12(11)15-7-20-5-10(15)6-21-14(16)18-15/h8-12H,2-7H2,1H3,(H2,16,18)(H,17,19)/t8-,9+,10+,11-,12-,15+/m1/s1
    Definition date:2019-11-05
    Last modified:2019-12-06
    Release date:2019-12-11
    Identifier:(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide
    S H 2 N N O NH CH 3 O
    QJV
    Name:(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-butylcyclopropane-1-carboxamide
    Formula:C14 H23 N3 O2 S
    SMILES:O=C(C3C(C12C(CSC(=N1)N)COC2)C3)NCCCC
    InChi:InChI=1S/C14H23N3O2S/c1-2-3-4-16-12(18)10-5-11(10)14-8-19-6-9(14)7-20-13(15)17-14/h9-11H,2-8H2,1H3,(H2,15,17)(H,16,18)/t9-,10+,11+,14-/m0/s1
    Definition date:2019-11-05
    Last modified:2019-12-06
    Release date:2019-12-11
    Identifier:(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-butylcyclopropane-1-carboxamide
    S O H 2 N N N N N CH 3 H 3 C CH 3
    QK7
    Name:(4aR,7aR)-7a-[(1R,2R)-2-(2-{[(1R,2R)-2-methylcyclopropyl]methoxy}propan-2-yl)cyclopropyl]-6-(pyrimidin-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine
    Formula:C21 H31 N5 O S
    SMILES:C1C(C1C)COC(C2CC2C54CN(c3ncccn3)CC5CSC(N)=N4)(C)C
    InChi:InChI=1S/C21H31N5OS/c1-13-7-14(13)10-27-20(2,3)16-8-17(16)21-12-26(19-23-5-4-6-24-19)9-15(21)11-28-18(22)25-21/h4-6,13-17H,7-12H2,1-3H3,(H2,22,25)/t13-,14+,15+,16-,17-,21+/m1/s1
    Definition date:2019-11-06
    Last modified:2019-12-06
    Release date:2019-12-11
    Identifier:(4aR,7aR)-7a-[(1R,2R)-2-(2-{[(1R,2R)-2-methylcyclopropyl]methoxy}propan-2-yl)cyclopropyl]-6-(pyrimidin-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine
    CH 3 N N NH 2 S N HN O N
    QKA
    Name:(1R,2R)-2-[(4aR,7aR)-2-amino-6-(pyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide
    Formula:C19 H26 N6 O S
    SMILES:C5C(CNC(=O)C1CC1C34CN(c2ncccn2)CC3CSC(=N4)N)C5C
    InChi:InChI=1S/C19H26N6OS/c1-11-5-12(11)7-23-16(26)14-6-15(14)19-10-25(18-21-3-2-4-22-18)8-13(19)9-27-17(20)24-19/h2-4,11-15H,5-10H2,1H3,(H2,20,24)(H,23,26)/t11-,12+,13+,14-,15-,19+/m1/s1
    Definition date:2019-11-06
    Last modified:2019-12-06
    Release date:2019-12-11
    Identifier:(1R,2R)-2-[(4aR,7aR)-2-amino-6-(pyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide
    OH O O P OH O O O O P HO O HO OH N N N N NH 2 O O O S NH OH NH O OH CH 3 CH 3 O P
    T3D
    Name:(~{E})-6-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-oxidanylidene-hex-3-enoic acid
    Formula:C27 H42 N7 O19 P3 S
    SMILES:CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)CC=CCC(O)=O
    InChi:InChI=1S/C27H42N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-21(52-54(42,43)44)20(39)26(51-15)34-14-33-19-23(28)31-13-32-24(19)34/h3-4,13-15,20-22,26,39-40H,5-12H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/b4-3+/t15-,20-,21-,22+,26-/m1/s1
    Definition date:2019-08-19
    Last modified:2019-12-06
    Release date:2019-12-11
    Identifier:(~{E})-6-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-oxidanylidene-hex-3-enoic acid
    HO OH HO OH + B O O H 2 N N H 3 C NH 2
    XC3
    Name:[(~{E})-3-[(3~{S},4~{R})-4-azanyl-1-[(2~{S})-2-azanylpropanoyl]-4-carboxy-pyrrolidin-3-yl]prop-1-enyl]-tris(oxidanyl)boranium
    Formula:C11 H21 B N3 O6
    SMILES:C[CH](N)C(=O)N1C[CH](CC=C[B+](O)(O)O)[C](N)(C1)C(O)=O
    InChi:InChI=1S/C11H21BN3O6/c1-7(13)9(16)15-5-8(3-2-4-12(19,20)21)11(14,6-15)10(17)18/h2,4,7-8,19-21H,3,5-6,13-14H2,1H3,(H,17,18)/q+1/b4-2+/t7-,8-,11-/m0/s1
    Definition date:2018-12-19
    Last modified:2019-12-06
    Release date:2019-12-11
    Identifier:[(~{E})-3-[(3~{S},4~{R})-4-azanyl-1-[(2~{S})-2-azanylpropanoyl]-4-carboxy-pyrrolidin-3-yl]prop-1-enyl]-tris(oxidanyl)boranium
    OH OH O O O OH HO P H 2 N N S N
    RSP
    Name:4-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)pyrimidine-2(1H)-thione
    Formula:C9 H14 N3 O7 P S
    SMILES:NC1=NC(=S)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
    InChi:InChI=1S/C9H14N3O7PS/c10-5-1-2-12(9(21)11-5)8-7(14)6(13)4(19-8)3-18-20(15,16)17/h1-2,4,6-8,13-14H,3H2,(H2,10,11,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
    Definition date:2010-01-11
    Last modified:2019-12-05
    Identifier:[(2R,3S,4R,5R)-5-(4-azanyl-2-sulfanylidene-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
    HO O CH 3 O
    9KL
    Name:(2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid
    Formula:C16 H14 O3
    SMILES:c1cc(C(C)C(=O)O)cc(c1)C(=O)c2ccccc2
    InChi:InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1
    Synonyms:Dexketoprofen
    Definition date:2018-05-21
    Last modified:2019-12-03
    Release date:2019-03-13
    Identifier:(2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid
    CH 3 N HN N H + N N N H O O O _ O O O S Cl N CH 3 O
    LBM
    Name:4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
    Formula:C45 H50 Cl N7 O7 S
    SMILES:c1c(Cl)ccc(c1)C8=C(CN2CCN(CC2)c5cc(Oc4cc3c(ncc3)nc4)c(cc5)C(=O)NS(c7ccc(NCC6CCOCC6)c(c7)[N+]([O-])=O)(=O)=O)CCC(C)(C8)C
    InChi:InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
    Synonyms:Venetoclax, 2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl)sulfonyl)benzamide
    Definition date:2019-02-18
    Last modified:2019-12-03
    Release date:2019-05-22
    Identifier:4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl)methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide
    H 3 C O N O O O N H CH 2 O O N CH 3 H 3 C O N H O N S O CH 3 HN
    SUE
    Name:(1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide
    Formula:C38 H50 N6 O9 S
    SMILES:O=S(=O)(NC(=O)C6(NC(=O)C1N2C(=O)C(NC(=O)OC5C(CCCCCc3nc4c(nc3OC(C1)C2)cc(OC)cc4)C5)C(C)(C)C)CC6/C=C)C7CC7
    InChi:InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1
    Synonyms:Grazoprevir, MK-5172
    Definition date:2011-08-04
    Last modified:2019-11-30
    Release date:2012-09-14
    Identifier:(1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide
    CH 3 H 3 C N H NH N O OH O N N
    CKO
    Name:E-4-(dimethylamino)-N-[3-[4-[[(1S)-2-oxidanyl-1-phenyl-ethyl]amino]-6-phenyl-furo[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide
    Formula:C32 H31 N5 O3
    SMILES:CN(C)CC=CC(=O)Nc1cccc(c1)c2c(oc3ncnc(N[CH](CO)c4ccccc4)c23)c5ccccc5
    InChi:InChI=1S/C32H31N5O3/c1-37(2)18-10-17-27(39)35-25-16-9-15-24(19-25)28-29-31(36-26(20-38)22-11-5-3-6-12-22)33-21-34-32(29)40-30(28)23-13-7-4-8-14-23/h3-17,19,21,26,38H,18,20H2,1-2H3,(H,35,39)(H,33,34,36)/b17-10+/t26-/m1/s1
    Definition date:2019-05-08
    Last modified:2019-11-29
    Release date:2019-12-04
    Identifier:(~{E})-4-(dimethylamino)-~{N}-[3-[4-[[(1~{S})-2-oxidanyl-1-phenyl-ethyl]amino]-6-phenyl-furo[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide
    Cl H 2 N NH 2 O O O HO N N
    DQ0
    Name:4-[3-[[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]methoxy]phenoxy]butanoic acid
    Formula:C21 H21 Cl N4 O4
    SMILES:Nc1nc(N)c(c(COc2cccc(OCCCC(O)=O)c2)n1)c3cccc(Cl)c3
    InChi:InChI=1S/C21H21ClN4O4/c22-14-5-1-4-13(10-14)19-17(25-21(24)26-20(19)23)12-30-16-7-2-6-15(11-16)29-9-3-8-18(27)28/h1-2,4-7,10-11H,3,8-9,12H2,(H,27,28)(H4,23,24,25,26)
    Definition date:2019-08-21
    Last modified:2019-11-29
    Release date:2019-12-04
    Identifier:4-[3-[[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]methoxy]phenoxy]butanoic acid