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VMG
VMG
表記:5-{4-[(Z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
組成式:C22 H22 N4 O2 S
SMILES:O=C2c1cnn(c1N=C(N2c3ccc(CCO)cc3)SC(C)c4ccccc4)C
InChi:InChI=1S/C22H22N4O2S/c1-15(17-6-4-3-5-7-17)29-22-24-20-19(14-23-25(20)2)21(28)26(22)18-10-8-16(9-11-18)12-13-27/h3-11,14-15,27H,12-13H2,1-2H3/t15-/m1/s1
定義日:2020-08-27
最終更新日:2020-12-25
公開日:2020-12-30
識別子（ID）:5-[4-(2-hydroxyethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
VMJ
VMJ
表記:5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
組成式:C21 H20 N4 O2 S
SMILES:O=C2N(c1ccc(cc1)CO)C(=Nc3c2cnn3C)SC(C)c4ccccc4
InChi:InChI=1S/C21H20N4O2S/c1-14(16-6-4-3-5-7-16)28-21-23-19-18(12-22-24(19)2)20(27)25(21)17-10-8-15(13-26)9-11-17/h3-12,14,26H,13H2,1-2H3/t14-/m1/s1
定義日:2020-08-27
最終更新日:2020-12-25
公開日:2020-12-30
識別子（ID）:5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
V8G
V8G
表記:trans-4-butylcyclohexane-1-carboxylic acid
組成式:C11 H20 O2
SMILES:C1C(C(=O)O)CCC(C1)CCCC
InChi:InChI=1S/C11H20O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10-
定義日:2020-07-16
最終更新日:2020-12-25
公開日:2020-12-30
識別子（ID）:trans-4-butylcyclohexane-1-carboxylic acid
FWO
FWO
表記:(2S)-2-[[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid
組成式:C10 H18 N2 O5
SMILES:CC(C)C[CH](NC(=O)C[CH](N)C(O)=O)C(O)=O
InChi:InChI=1S/C10H18N2O5/c1-5(2)3-7(10(16)17)12-8(13)4-6(11)9(14)15/h5-7H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)/t6-,7-/m0/s1
定義日:2020-06-25
最終更新日:2020-12-25
公開日:2020-12-30
識別子（ID）:(2~{S})-2-[[(3~{S})-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid
NWK
NWK
表記:2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid
組成式:C20 H20 Cl2 N4 O5 S
SMILES:Cc1[nH]c(C(=O)Nc2sc3cc(cc(OCCN4CCOCC4)c3n2)C(O)=O)c(Cl)c1Cl
InChi:InChI=1S/C20H20Cl2N4O5S/c1-10-14(21)15(22)17(23-10)18(27)25-20-24-16-12(8-11(19(28)29)9-13(16)32-20)31-7-4-26-2-5-30-6-3-26/h8-9,23H,2-7H2,1H3,(H,28,29)(H,24,25,27)
定義日:2020-01-02
最終更新日:2020-12-25
公開日:2020-12-30
識別子（ID）:2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid
2JP
2JP
表記:4-(isoquinolin-3-ylamino)-4-oxobutanoic acid
組成式:C13 H12 N2 O3
SMILES:O=C(O)CCC(=O)Nc2ncc1ccccc1c2
InChi:InChI=1S/C13H12N2O3/c16-12(5-6-13(17)18)15-11-7-9-3-1-2-4-10(9)8-14-11/h1-4,7-8H,5-6H2,(H,17,18)(H,14,15,16)
定義日:2013-11-06
最終更新日:2020-12-25
公開日:2020-12-30
識別子（ID）:4-(isoquinolin-3-ylamino)-4-oxobutanoic acid
P3K
P3K
表記:2,3-bis(oxidanyl)benzenecarbonitrile
組成式:C7 H5 N O2
SMILES:Oc1cccc(C#N)c1O
InChi:InChI=1S/C7H5NO2/c8-4-5-2-1-3-6(9)7(5)10/h1-3,9-10H
定義日:2020-04-14
最終更新日:2020-12-25
公開日:2020-12-30
識別子（ID）:2,3-bis(oxidanyl)benzenecarbonitrile
VC7
VC7
表記:5'-O-[(R)-hydroxy(methyl)phosphoryl]guanosine
組成式:C11 H16 N5 O7 P
SMILES:C1(C(C(O)C(COP(C)(=O)O)O1)O)n3c2N=C(N)NC(c2nc3)=O
InChi:InChI=1S/C11H16N5O7P/c1-24(20,21)22-2-4-6(17)7(18)10(23-4)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H,20,21)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1
定義日:2020-07-27
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:5'-O-[(R)-hydroxy(methyl)phosphoryl]guanosine
SYZ
SYZ
表記:N-(2-(2,4-dioxothiazolidin-3-yl)ethyl)-3-methylbenzamide
組成式:C13 H14 N2 O3 S
SMILES:Cc1cccc(c1)C(=O)NCCN2C(=O)CSC2=O
InChi:InChI=1S/C13H14N2O3S/c1-9-3-2-4-10(7-9)12(17)14-5-6-15-11(16)8-19-13(15)18/h2-4,7H,5-6,8H2,1H3,(H,14,17)
別名:~{N}-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-methyl-benzamide
定義日:2020-12-08
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:~{N}-[2-[2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-methyl-benzamide
SZ2
SZ2
表記:5-cyclohexyl-3-(pyridin-4-yl)-1,2,4-oxadiazole
組成式:C13 H15 N3 O
SMILES:C1CCC(CC1)c2onc(n2)c3ccncc3
InChi:InChI=1S/C13H15N3O/c1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10/h6-9,11H,1-5H2
別名:5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole
定義日:2020-12-08
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:5-cyclohexyl-3-pyridin-4-yl-1,2,4-oxadiazole
SZB
SZB
表記:succinimide
組成式:C4 H3 N O2
SMILES:O=C1NC(=O)C=C1
InChi:InChI=1S/C4H3NO2/c6-3-1-2-4(7)5-3/h1-2H,(H,5,6,7)
別名:pyrrolidine-2,5-dione
定義日:2020-12-08
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:pyrrole-2,5-dione
SZE
SZE
表記:4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one
組成式:C10 H12 F N3 O
SMILES:CN1CCN(CC1=O)c2ncccc2F
InChi:InChI=1S/C10H12FN3O/c1-13-5-6-14(7-9(13)15)10-8(11)3-2-4-12-10/h2-4H,5-7H2,1H3
別名:4-(3-fluoropyridin-2-yl)-1-methylpiperazin-2-one
定義日:2020-12-08
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:(4~{R})-4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one
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
SZK
SZK
表記:(1-ethyl-1H-benzoimidazol-2-yl)-furan-2-ylmethyl-aminee
組成式:C14 H15 N3 O
SMILES:CCn1c(NCc2occc2)nc3ccccc13
InChi:InChI=1S/C14H15N3O/c1-2-17-13-8-4-3-7-12(13)16-14(17)15-10-11-6-5-9-18-11/h3-9H,2,10H2,1H3,(H,15,16)
別名:1-ethyl-~{N}-(furan-2-ylmethyl)benzimidazol-2-amine
定義日:2020-12-08
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:1-ethyl-~{N}-(furan-2-ylmethyl)benzimidazol-2-amine
SZN
SZN
表記:N-[2-(2,5-Dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide
組成式:C14 H16 N2 O3
SMILES:Cc1cccc(c1)C(=O)NCCN2C(=O)CCC2=O
InChi:InChI=1S/C14H16N2O3/c1-10-3-2-4-11(9-10)14(19)15-7-8-16-12(17)5-6-13(16)18/h2-4,9H,5-8H2,1H3,(H,15,19)
別名:~{N}-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethyl]-3-methyl-benzamide
定義日:2020-12-08
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:~{N}-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethyl]-3-methyl-benzamide
UZD
UZD
表記:methyl 6-O-(heptylcarbamoyl)-beta-L-altropyranoside
組成式:C15 H29 N O7
SMILES:O=C(OCC1OC(C(C(C1O)O)O)OC)NCCCCCCC
InChi:InChI=1S/C15H29NO7/c1-3-4-5-6-7-8-16-15(20)22-9-10-11(17)12(18)13(19)14(21-2)23-10/h10-14,17-19H,3-9H2,1-2H3,(H,16,20)/t10-,11-,12-,13+,14-/m0/s1
定義日:2020-06-08
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:methyl 6-O-(heptylcarbamoyl)-beta-L-altropyranoside
WT7
WT7
表記:5'-O-[(S)-butoxy(hydroxy)phosphoryl]adenosine
組成式:C14 H22 N5 O7 P
SMILES:C1(C(C(C(O1)n3cnc2c(N)ncnc23)O)O)COP(OCCCC)(=O)O
InChi:InChI=1S/C14H22N5O7P/c1-2-3-4-24-27(22,23)25-5-8-10(20)11(21)14(26-8)19-7-18-9-12(15)16-6-17-13(9)19/h6-8,10-11,14,20-21H,2-5H2,1H3,(H,22,23)(H2,15,16,17)/t8-,10-,11-,14-/m1/s1
定義日:2020-11-06
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:5'-O-[(S)-butoxy(hydroxy)phosphoryl]adenosine
VYV
VYV
表記:4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide
組成式:C15 H18 N4 O5 S2
SMILES:c1ccccc1NC(NCCS(Nc2ccc(cc2)S(=O)(=O)N)(=O)=O)=O
InChi:InChI=1S/C15H18N4O5S2/c16-26(23,24)14-8-6-13(7-9-14)19-25(21,22)11-10-17-15(20)18-12-4-2-1-3-5-12/h1-9,19H,10-11H2,(H2,16,23,24)(H2,17,18,20)
定義日:2020-09-22
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide
VYY
VYY
表記:4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
組成式:C16 H20 N4 O5 S2
SMILES:N(C(NCCS(Nc1ccc(S(=O)(=O)N)cc1)(=O)=O)=O)c2ccc(C)cc2
InChi:InChI=1S/C16H20N4O5S2/c1-12-2-4-13(5-3-12)19-16(21)18-10-11-26(22,23)20-14-6-8-15(9-7-14)27(17,24)25/h2-9,20H,10-11H2,1H3,(H2,17,24,25)(H2,18,19,21)
定義日:2020-09-22
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
VZ1
VZ1
表記:4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
組成式:C17 H22 N4 O5 S2
SMILES:c2c(NC(NCCS(Nc1ccc(S(=O)(=O)N)cc1)(=O)=O)=O)cc(cc2C)C
InChi:InChI=1S/C17H22N4O5S2/c1-12-9-13(2)11-15(10-12)20-17(22)19-7-8-27(23,24)21-14-3-5-16(6-4-14)28(18,25)26/h3-6,9-11,21H,7-8H2,1-2H3,(H2,18,25,26)(H2,19,20,22)
定義日:2020-09-23
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
RXN
RXN
表記:(S)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridine-3-carboxamide
組成式:C24 H22 Cl N5 O4
SMILES:CN1C(=O)[CH](COc2cc(Cl)ccc12)N3CCc4c(nn(Cc5ccccc5)c4C(N)=O)C3=O
InChi:InChI=1S/C24H22ClN5O4/c1-28-17-8-7-15(25)11-19(17)34-13-18(23(28)32)29-10-9-16-20(24(29)33)27-30(21(16)22(26)31)12-14-5-3-2-4-6-14/h2-8,11,18H,9-10,12-13H2,1H3,(H2,26,31)/t18-/m0/s1
別名:6-[(3S)-8-chloranyl-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-7-oxidanylidene-2-(phenylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide
定義日:2020-10-31
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:6-[(3~{S})-8-chloranyl-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-7-oxidanylidene-2-(phenylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide
VZD
VZD
表記:4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
組成式:C15 H17 F N4 O5 S2
SMILES:N(c1ccc(F)cc1)C(NCCS(Nc2ccc(cc2)S(N)(=O)=O)(=O)=O)=O
InChi:InChI=1S/C15H17FN4O5S2/c16-11-1-3-12(4-2-11)19-15(21)18-9-10-26(22,23)20-13-5-7-14(8-6-13)27(17,24)25/h1-8,20H,9-10H2,(H2,17,24,25)(H2,18,19,21)
定義日:2020-09-23
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
QRM
QRM
表記:3-aminocyclohexa-1,3-diene-1-carboxylic acid
組成式:C7 H9 N O2
SMILES:C(=O)(O)C=1CCC=C(C=1)N
InChi:InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h3-4H,1-2,8H2,(H,9,10)
定義日:2019-12-11
最終更新日:2020-12-18
公開日:2020-12-16
識別子（ID）:3-aminocyclohexa-1,3-diene-1-carboxylic acid
QRN
QRN
表記:5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-phenol
組成式:C16 H15 N O2 S
SMILES:COc1ccc(CCc2sc3ccccc3n2)cc1O
InChi:InChI=1S/C16H15NO2S/c1-19-14-8-6-11(10-13(14)18)7-9-16-17-12-4-2-3-5-15(12)20-16/h2-6,8,10,18H,7,9H2,1H3
定義日:2020-07-30
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxy-phenol
QRQ
QRQ
表記:2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole
組成式:C18 H19 N O3 S
SMILES:COc1cc(CCc2sc3ccccc3n2)cc(OC)c1OC
InChi:InChI=1S/C18H19NO3S/c1-20-14-10-12(11-15(21-2)18(14)22-3)8-9-17-19-13-6-4-5-7-16(13)23-17/h4-7,10-11H,8-9H2,1-3H3
定義日:2020-07-30
最終更新日:2020-12-18
公開日:2020-12-23
識別子（ID）:2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole

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