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VHM
VHM
表記:N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
組成式:C29 H44 N4 O6
SMILES:c1ccc(cc1)COC(NC(C(C)C)C(=O)NC(C(NC(CC2C(NCC2)=O)CO)=O)CC3CCCCC3)=O
InChi:InChI=1S/C29H44N4O6/c1-19(2)25(33-29(38)39-18-21-11-7-4-8-12-21)28(37)32-24(15-20-9-5-3-6-10-20)27(36)31-23(17-34)16-22-13-14-30-26(22)35/h4,7-8,11-12,19-20,22-25,34H,3,5-6,9-10,13-18H2,1-2H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t22-,23-,24-,25-/m0/s1
定義日:2020-08-12
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
VHP
VHP
表記:N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
組成式:C29 H46 N4 O7
SMILES:c1ccc(cc1)COC(NC(C(=O)NC(C(=O)NC(CC2C(NCC2)=O)CO)CC(C)C)C(C)OC(C)(C)C)=O
InChi:InChI=1S/C29H46N4O7/c1-18(2)14-23(26(36)31-22(16-34)15-21-12-13-30-25(21)35)32-27(37)24(19(3)40-29(4,5)6)33-28(38)39-17-20-10-8-7-9-11-20/h7-11,18-19,21-24,34H,12-17H2,1-6H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t19-,21+,22+,23+,24+/m1/s1
定義日:2020-08-13
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
ODG
ODG
表記:6-{4-[(4-cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile
組成式:C20 H21 N5 O
SMILES:c4(ccc(N3CCN(C(Cc2ccc(C1CC1)cc2)=O)CC3)nn4)C#N
InChi:InChI=1S/C20H21N5O/c21-14-18-7-8-19(23-22-18)24-9-11-25(12-10-24)20(26)13-15-1-3-16(4-2-15)17-5-6-17/h1-4,7-8,17H,5-6,9-13H2
定義日:2019-06-20
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:6-{4-[(4-cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile
Q6E
Q6E
表記:(1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide
組成式:C22 H28 Cl N5 O2
SMILES:CC(=O)N[CH]1CCC[CH](C1)C(=O)Nc2cc(c(Cl)cn2)c3cnn4CC(C)(C)Cc34
InChi:InChI=1S/C22H28ClN5O2/c1-13(29)26-15-6-4-5-14(7-15)21(30)27-20-8-16(18(23)11-24-20)17-10-25-28-12-22(2,3)9-19(17)28/h8,10-11,14-15H,4-7,9,12H2,1-3H3,(H,26,29)(H,24,27,30)/t14-,15+/m0/s1
定義日:2020-05-22
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:(1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide
QFN
QFN
表記:(4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one
組成式:C22 H21 Cl N4 O2
SMILES:CN1C=C(C=C(C)C1=O)N2[CH](c3ccc(Cl)cc3)c4c(C)nn(C5CC5)c4C2=O
InChi:InChI=1S/C22H21ClN4O2/c1-12-10-17(11-25(3)21(12)28)26-19(14-4-6-15(23)7-5-14)18-13(2)24-27(16-8-9-16)20(18)22(26)29/h4-7,10-11,16,19H,8-9H2,1-3H3/t19-/m1/s1
定義日:2020-06-15
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:(4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one
G5L
G5L
表記:7-[methyl-(phenylmethyl)amino]-2-oxidanylidene-chromene-3-carboxylic acid
組成式:C18 H15 N O4
SMILES:CN(Cc1ccccc1)c2ccc3C=C(C(O)=O)C(=O)Oc3c2
InChi:InChI=1S/C18H15NO4/c1-19(11-12-5-3-2-4-6-12)14-8-7-13-9-15(17(20)21)18(22)23-16(13)10-14/h2-10H,11H2,1H3,(H,20,21)
定義日:2020-07-28
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:7-[methyl-(phenylmethyl)amino]-2-oxidanylidene-chromene-3-carboxylic acid
G5O
G5O
表記:2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid
組成式:C20 H14 Cl N O5 S
SMILES:OC(=O)c1ccccc1NC(=O)c2cc(ccc2Cl)[S](=O)(=O)c3ccccc3
InChi:InChI=1S/C20H14ClNO5S/c21-17-11-10-14(28(26,27)13-6-2-1-3-7-13)12-16(17)19(23)22-18-9-5-4-8-15(18)20(24)25/h1-12H,(H,22,23)(H,24,25)
定義日:2020-07-28
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid
EGO
EGO
表記:5-[5-(4-chloranyl-3-fluoranyl-phenyl)-4-methyl-pyrazol-1-yl]-2-phenylmethoxy-benzoic acid
組成式:C24 H18 Cl F N2 O3
SMILES:Cc1cnn(c2ccc(OCc3ccccc3)c(c2)C(O)=O)c1c4ccc(Cl)c(F)c4
InChi:InChI=1S/C24H18ClFN2O3/c1-15-13-27-28(23(15)17-7-9-20(25)21(26)11-17)18-8-10-22(19(12-18)24(29)30)31-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,29,30)
定義日:2019-12-20
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:5-[5-(4-chloranyl-3-fluoranyl-phenyl)-4-methyl-pyrazol-1-yl]-2-phenylmethoxy-benzoic acid
EGU
EGU
表記:4-chloranyl-2-[[5-chloranyl-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-1,3-thiazol-4-yl]carbonyl-methyl-amino]-5-fluoranyl-benzoic acid
組成式:C21 H16 Cl2 F N3 O4 S
SMILES:COc1ccc2CN(Cc2c1)c3sc(Cl)c(n3)C(=O)N(C)c4cc(Cl)c(F)cc4C(O)=O
InChi:InChI=1S/C21H16Cl2FN3O4S/c1-26(16-7-14(22)15(24)6-13(16)20(29)30)19(28)17-18(23)32-21(25-17)27-8-10-3-4-12(31-2)5-11(10)9-27/h3-7H,8-9H2,1-2H3,(H,29,30)
定義日:2019-12-20
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:4-chloranyl-2-[[5-chloranyl-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-1,3-thiazol-4-yl]carbonyl-methyl-amino]-5-fluoranyl-benzoic acid
EJ6
EJ6
表記:5-chloro-N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-sulfonamide
組成式:C22 H24 Cl F N4 O5 S
SMILES:C[CH]([CH](N[S](=O)(=O)c1ccc(Cl)c2N(C)CCOc12)C3=NNC(=O)O3)c4c(F)ccc(C)c4C
InChi:InChI=1S/C22H24ClFN4O5S/c1-11-5-7-15(24)17(12(11)2)13(3)18(21-25-26-22(29)33-21)27-34(30,31)16-8-6-14(23)19-20(16)32-10-9-28(19)4/h5-8,13,18,27H,9-10H2,1-4H3,(H,26,29)/t13-,18+/m1/s1
定義日:2019-12-27
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:5-chloranyl-~{N}-[(1~{S},2~{R})-2-(6-fluoranyl-2,3-dimethyl-phenyl)-1-(2-oxidanylidene-3~{H}-1,3,4-oxadiazol-5-yl)propyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-8-sulfonamide
DJM
DJM
表記:2-{[1-(3,5-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-hydroxyacetamide
組成式:C13 H15 N3 O2 S
SMILES:Cc1cc(cc(c1)C)n2ccnc2SCC(=O)NO
InChi:InChI=1S/C13H15N3O2S/c1-9-5-10(2)7-11(6-9)16-4-3-14-13(16)19-8-12(17)15-18/h3-7,18H,8H2,1-2H3,(H,15,17)
定義日:2017-10-27
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:2-{[1-(3,5-dimethylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-hydroxyacetamide
M7H
M7H
表記:1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone
組成式:C21 H24 N4 O2
SMILES:COc1ccc(cc1)c2cnc3n(C)c(cc3n2)C4CCN(CC4)C(C)=O
InChi:InChI=1S/C21H24N4O2/c1-14(26)25-10-8-16(9-11-25)20-12-18-21(24(20)2)22-13-19(23-18)15-4-6-17(27-3)7-5-15/h4-7,12-13,16H,8-11H2,1-3H3
定義日:2019-10-03
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone
EY0
EY0
表記:3-methyl-5-[[(4~{R})-4-methyl-4-oxidanyl-1,2-oxazolidin-2-yl]carbonyl]-6-[[5-methyl-3-(trifluoromethyl)-1~{H}-pyrazol-4-yl]methyl]-1-propan-2-yl-thieno[2,3-d]pyrimidine-2,4-dione
組成式:C21 H24 F3 N5 O5 S
SMILES:CC(C)N1C(=O)N(C)C(=O)c2c1sc(Cc3c(C)[nH]nc3C(F)(F)F)c2C(=O)N4C[C](C)(O)CO4
InChi:InChI=1S/C21H24F3N5O5S/c1-9(2)29-18-14(16(30)27(5)19(29)32)13(17(31)28-7-20(4,33)8-34-28)12(35-18)6-11-10(3)25-26-15(11)21(22,23)24/h9,33H,6-8H2,1-5H3,(H,25,26)/t20-/m1/s1
定義日:2020-02-18
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:3-methyl-5-[[(4~{R})-4-methyl-4-oxidanyl-1,2-oxazolidin-2-yl]carbonyl]-6-[[5-methyl-3-(trifluoromethyl)-1~{H}-pyrazol-4-yl]methyl]-1-propan-2-yl-thieno[2,3-d]pyrimidine-2,4-dione
4DG
4DG
表記:2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl dihydrogen phosphate
組成式:C8 H12 N5 O6 P
SMILES:NC1=Nc2n(COCCO[P](O)(O)=O)cnc2C(=O)N1
InChi:InChI=1S/C8H12N5O6P/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-18-1-2-19-20(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14)
別名:acyclic guanosine monophosphate
定義日:2009-11-09
最終更新日:2020-12-12
識別子（ID）:2-[(2-azanyl-6-oxo-1H-purin-9-yl)methoxy]ethyl dihydrogen phosphate
VXM
VXM
表記:4-{[(5-fluoro-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
組成式:C15 H11 F N2 O3
SMILES:C1(NC(c2c1cccc2NCc3cc(F)ccc3O)=O)=O
InChi:InChI=1S/C15H11FN2O3/c16-9-4-5-12(19)8(6-9)7-17-11-3-1-2-10-13(11)15(21)18-14(10)20/h1-6,17,19H,7H2,(H,18,20,21)
定義日:2020-09-20
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:4-{[(5-fluoro-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
VXP
VXP
表記:4-{[(3-chloro-5-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
組成式:C15 H11 Cl N2 O3
SMILES:c1c(cc(O)cc1CNc3cccc2C(NC(=O)c23)=O)Cl
InChi:InChI=1S/C15H11ClN2O3/c16-9-4-8(5-10(19)6-9)7-17-12-3-1-2-11-13(12)15(21)18-14(11)20/h1-6,17,19H,7H2,(H,18,20,21)
定義日:2020-09-20
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:4-{[(3-chloro-5-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
VXS
VXS
表記:4-{[3-(2-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione
組成式:C17 H16 N2 O3
SMILES:C(c1c(cccc1)O)CCNc3cccc2C(=O)NC(c23)=O
InChi:InChI=1S/C17H16N2O3/c20-14-9-2-1-5-11(14)6-4-10-18-13-8-3-7-12-15(13)17(22)19-16(12)21/h1-3,5,7-9,18,20H,4,6,10H2,(H,19,21,22)
定義日:2020-09-20
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:4-{[3-(2-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione
VXV
VXV
表記:4-{[3-(3-chloro-5-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione
組成式:C17 H15 Cl N2 O3
SMILES:C1(=O)c2c(C(N1)=O)c(ccc2)NCCCc3cc(cc(c3)O)Cl
InChi:InChI=1S/C17H15ClN2O3/c18-11-7-10(8-12(21)9-11)3-2-6-19-14-5-1-4-13-15(14)17(23)20-16(13)22/h1,4-5,7-9,19,21H,2-3,6H2,(H,20,22,23)
定義日:2020-09-20
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:4-{[3-(3-chloro-5-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione
XC4
XC4
表記:1-[(1H-indole-5-carbonyl)oxy]-1H-benzotriazole
組成式:C15 H10 N4 O2
SMILES:c2cc1nccc1cc2C(=O)On3c4c(nn3)cccc4
InChi:InChI=1S/C15H10N4O2/c20-15(11-5-6-12-10(9-11)7-8-16-12)21-19-14-4-2-1-3-13(14)17-18-19/h1-9,16H
定義日:2020-12-09
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:1-[(1H-indole-5-carbonyl)oxy]-1H-benzotriazole
S9A
S9A
表記:~{N}-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-propan-2-yloxy-azetidine-1-carboxamide
組成式:C23 H29 N7 O2
SMILES:CC(C)OC1CN(C1)C(=O)NCc2ccc(cc2C)c3ccnc(Nc4cnn(C)c4)n3
InChi:InChI=1S/C23H29N7O2/c1-15(2)32-20-13-30(14-20)23(31)25-10-18-6-5-17(9-16(18)3)21-7-8-24-22(28-21)27-19-11-26-29(4)12-19/h5-9,11-12,15,20H,10,13-14H2,1-4H3,(H,25,31)(H,24,27,28)
定義日:2020-03-06
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:~{N}-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-propan-2-yloxy-azetidine-1-carboxamide
QOK
QOK
表記:7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione
組成式:C11 H16 N4 O4
SMILES:COCCOCn1cnc2N(C)C(=O)N(C)C(=O)c12
InChi:InChI=1S/C11H16N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)7-19-5-4-18-3/h6H,4-5,7H2,1-3H3
定義日:2020-07-13
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione
SQ8
SQ8
表記:1-[(5-azanyl-1,3-dioxan-2-yl)methyl]-3-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-7-(methylamino)-1,6-naphthyridin-2-one
組成式:C25 H23 Cl F N5 O3
SMILES:CNc1cc2N(C[CH]3OC[CH](N)CO3)C(=O)C(=Cc2cn1)c4ccc(cc4Cl)c5ncccc5F
InChi:InChI=1S/C25H23ClFN5O3/c1-29-22-9-21-15(10-31-22)7-18(25(33)32(21)11-23-34-12-16(28)13-35-23)17-5-4-14(8-19(17)26)24-20(27)3-2-6-30-24/h2-10,16,23H,11-13,28H2,1H3,(H,29,31)/t16-,23-
定義日:2020-11-30
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:1-[(5-azanyl-1,3-dioxan-2-yl)methyl]-3-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-7-(methylamino)-1,6-naphthyridin-2-one
SQB
SQB
表記:8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-methoxy-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
組成式:C26 H27 Cl N6 O4
SMILES:CNc1ncc2C=C(C(=O)N(C[CH]3OC[CH](N)CO3)c2n1)c4ccc(cc4Cl)c5nc(C)ccc5OC
InChi:InChI=1S/C26H27ClN6O4/c1-14-4-7-21(35-3)23(31-14)15-5-6-18(20(27)9-15)19-8-16-10-30-26(29-2)32-24(16)33(25(19)34)11-22-36-12-17(28)13-37-22/h4-10,17,22H,11-13,28H2,1-3H3,(H,29,30,32)/t17-,22-
定義日:2020-11-30
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-methoxy-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
SQE
SQE
表記:8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[4-[6-[bis(fluoranyl)methyl]pyridin-2-yl]-2-chloranyl-phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
組成式:C25 H23 Cl F2 N6 O3
SMILES:CNc1ncc2C=C(C(=O)N(C[CH]3OC[CH](N)CO3)c2n1)c4ccc(cc4Cl)c5cccc(n5)C(F)F
InChi:InChI=1S/C25H23ClF2N6O3/c1-30-25-31-9-14-7-17(24(35)34(23(14)33-25)10-21-36-11-15(29)12-37-21)16-6-5-13(8-18(16)26)19-3-2-4-20(32-19)22(27)28/h2-9,15,21-22H,10-12,29H2,1H3,(H,30,31,33)/t15-,21-
定義日:2020-11-30
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[4-[6-[bis(fluoranyl)methyl]pyridin-2-yl]-2-chloranyl-phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
SQK
SQK
表記:8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranyl-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
組成式:C25 H24 Cl F N6 O3
SMILES:CNc1ncc2C=C(C(=O)N(C[CH]3OC[CH](N)CO3)c2n1)c4ccc(cc4Cl)c5nc(C)ccc5F
InChi:InChI=1S/C25H24ClFN6O3/c1-13-3-6-20(27)22(31-13)14-4-5-17(19(26)8-14)18-7-15-9-30-25(29-2)32-23(15)33(24(18)34)10-21-35-11-16(28)12-36-21/h3-9,16,21H,10-12,28H2,1-2H3,(H,29,30,32)/t16-,21-
定義日:2020-11-30
最終更新日:2020-12-11
公開日:2020-12-16
識別子（ID）:8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranyl-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

223790

件を2024-08-14に公開中

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