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BRW
BRW
表記:6-BROMOINDIRUBIN-3'-OXIME
組成式:C16 H10 Br N3 O2
SMILES:Brc1ccc2c(c1)NC(=O)C/2=C4C(=NO)c3ccccc3N4
InChi:InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
別名:(3E)-6'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-OXIME
定義日:2004-01-14
最終更新日:2020-06-17
識別子（ID）:(2Z,3E)-6'-bromo-2,3'-biindole-2',3(1H,1'H)-dione 3-oxime
BST
BST
表記:6-(4-AMINO-4-HYDROXY-2-OXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-3-[3-AMINO-5-(N-METHYL-GUANIDINO)-PENT ANOYLAMINO]-3,6-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
組成式:C17 H28 N8 O6
SMILES:O=C1NC(O)(N)C=CN1C2OC(C(=O)O)C(C=C2)NC(=O)CC(N)CCN(C(=[N@H])N)C
InChi:InChI=1S/C17H28N8O6/c1-24(15(19)20)6-4-9(18)8-11(26)22-10-2-3-12(31-13(10)14(27)28)25-7-5-17(21,30)23-16(25)29/h2-3,5,7,9-10,12-13,30H,4,6,8,18,21H2,1H3,(H3,19,20)(H,22,26)(H,23,29)(H,27,28)/t9-,10-,12+,13-,17-/m0/s1
別名:TETRAHEDRAL INTERMEDIATE OF BLASTICIDIN S
定義日:2004-07-30
最終更新日:2020-06-17
識別子（ID）:(4S)-4-amino-1-[4-({(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl}amino)-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl]-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one
BSU
BSU
表記:1,3-DIPHENYLUREA
組成式:C13 H12 N2 O
SMILES:O=C(Nc1ccccc1)Nc2ccccc2
InChi:InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
別名:DIPHENYLCARBAMIDE
定義日:2001-05-22
最終更新日:2020-06-17
識別子（ID）:1,3-diphenylurea
BTW
BTW
表記:(2S,3R)-2-benzyl-3-sulfanylbutanoic acid
組成式:C11 H14 O2 S
SMILES:O=C(O)C(C(S)C)Cc1ccccc1
InChi:InChI=1S/C11H14O2S/c1-8(14)10(11(12)13)7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,12,13)/t8-,10-/m1/s1
別名:(2S,3R)-2-benzyl-3-mercaptobutanoic acid
定義日:2009-07-09
最終更新日:2020-06-17
識別子（ID）:(2S,3R)-2-benzyl-3-sulfanylbutanoic acid
BVF
BVF
表記:4-METHYLPYRIDIN-2-AMINE
組成式:C6 H8 N2
SMILES:n1ccc(cc1N)C
InChi:InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)
別名:2-AMINO-4-PICOLINE
定義日:2005-11-08
最終更新日:2020-06-17
識別子（ID）:4-methylpyridin-2-amine
BVP
BVP
表記:(E)-5-(2-BROMOVINYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
組成式:C11 H14 Br N2 O8 P
SMILES:Br[C@H]=CC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C11H14BrN2O8P/c12-2-1-6-4-14(11(17)13-10(6)16)9-3-7(15)8(22-9)5-21-23(18,19)20/h1-2,4,7-9,15H,3,5H2,(H,13,16,17)(H2,18,19,20)/b2-1+/t7-,8+,9+/m0/s1
別名:BVDU-MP
定義日:2003-03-31
最終更新日:2020-06-17
識別子（ID）:5-[(E)-2-bromoethenyl]-2'-deoxyuridine 5'-(dihydrogen phosphate)
BW2
BW2
表記:N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID
組成式:C20 H19 N5 O8 S
SMILES:O=C(O)C(NC(=O)c1ccc(cc1)S(=O)(=O)Nc3ccc2N=C(NC(=O)c2c3)N)CCC(=O)O
InChi:InChI=1S/C20H19N5O8S/c21-20-23-14-6-3-11(9-13(14)18(29)24-20)25-34(32,33)12-4-1-10(2-5-12)17(28)22-15(19(30)31)7-8-16(26)27/h1-6,9,15,25H,7-8H2,(H,22,28)(H,26,27)(H,30,31)(H3,21,23,24,29)
別名:BW2315U89UC
定義日:2003-06-12
最終更新日:2020-06-17
識別子（ID）:N-({4-[(2-amino-4-oxo-3,4-dihydroquinazolin-6-yl)sulfamoyl]phenyl}carbonyl)glutamic acid
BWD
BWD
表記:2-AMINO-3-(5-BROMO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID
組成式:C7 H8 Br N3 O4
SMILES:O=C(O)C(N)CN1C=C(Br)C(=O)NC1=O
InChi:InChI=1S/C7H8BrN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1
別名:BROMO-WILLARDIINE
定義日:2002-09-19
最終更新日:2020-06-17
識別子（ID）:3-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine
BWU
BWU
表記:Tetraphenylporphycene contating cobalt
組成式:C44 H28 Co N4
SMILES:[Co]1n2c3ccc2C(=C(c4ccccc4)C5=NC(=C6C=CC(=C(c7ccccc7)C(=C8C=CC3=N8)c9ccccc9)[N]16)C=C5)c%10ccccc%10
InChi:InChI=1S/C44H28N4.Co/c1-5-13-29(14-6-1)41-37-25-21-33(45-37)34-23-27-39(47-34)43(31-17-9-3-10-18-31)44(32-19-11-4-12-20-32)40-28-24-36(48-40)35-22-26-38(46-35)42(41)30-15-7-2-8-16-30
別名:Co-9,10,19,20-Tetraphenylporphycene
定義日:2019-03-25
最終更新日:2020-06-17
公開日:2020-03-11
BWX
BWX
表記:(2S)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]-3-phenyl-propanoic acid
組成式:C22 H27 N O3
SMILES:CC(C)Cc1ccc(cc1)[CH](C)C(=O)N[CH](Cc2ccccc2)C(O)=O
InChi:InChI=1S/C22H27NO3/c1-15(2)13-18-9-11-19(12-10-18)16(3)21(24)23-20(22(25)26)14-17-7-5-4-6-8-17/h4-12,15-16,20H,13-14H2,1-3H3,(H,23,24)(H,25,26)/t16-,20-/m0/s1
別名:N-(S)-Ibuprofenoyl-L-Phenylalanine
定義日:2019-03-26
最終更新日:2020-06-17
公開日:2020-03-18
識別子（ID）:(2~{S})-2-[[(2~{S})-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]-3-phenyl-propanoic acid
BYT
BYT
表記:Biocytin
組成式:C16 H28 N4 O4 S
SMILES:O=C1NC2C(SCC2N1)CCCCC(=O)NCCCCC(C(=O)O)N
InChi:InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11-,12-,14-/m0/s1
別名:N~6~-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysine
定義日:2013-08-01
最終更新日:2020-06-17
公開日:2014-09-10
識別子（ID）:N~6~-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysine
BYY
BYY
表記:5-[(3aS,4S,6aR)-2-oxohexahydro-1H-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid
組成式:C10 H16 N2 O3 Se
SMILES:O=C1NC2C(N1)C([Se]C2)CCCCC(O)=O
InChi:InChI=1S/C10H16N2O3Se/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
別名:selenobiotin
定義日:2016-04-18
最終更新日:2020-06-17
公開日:2016-11-16
識別子（ID）:5-[(3aS,4S,6aR)-2-oxohexahydro-1H-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid
BZ7
BZ7
表記:N~1~-{2-[([1,1'-biphenyl]-3-carbonyl)amino]ethyl}-N~4~-tert-butyl-N~2~-(3-phenylpropanoyl)-L-aspartamide
組成式:C32 H38 N4 O4
SMILES:N(C(CC(NC(C)(C)C)=O)C(=O)NCCNC(=O)c1cccc(c1)c2ccccc2)C(CCc3ccccc3)=O
InChi:InChI=1S/C32H38N4O4/c1-32(2,3)36-29(38)22-27(35-28(37)18-17-23-11-6-4-7-12-23)31(40)34-20-19-33-30(39)26-16-10-15-25(21-26)24-13-8-5-9-14-24/h4-16,21,27H,17-20,22H2,1-3H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38)/t27-/m0/s1
別名:PKS21004
定義日:2017-09-05
最終更新日:2020-06-17
公開日:2017-12-06
識別子（ID）:N~1~-{2-[([1,1'-biphenyl]-3-carbonyl)amino]ethyl}-N~4~-tert-butyl-N~2~-(3-phenylpropanoyl)-L-aspartamide
BZE
BZE
表記:6-phenyl-1,3,5-triazine-2,4-diamine
組成式:C9 H9 N5
SMILES:n1c(nc(nc1c2ccccc2)N)N
InChi:InChI=1S/C9H9N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14)
別名:BENZOGUANAMINE
定義日:2013-05-10
最終更新日:2020-06-17
公開日:2013-05-22
識別子（ID）:6-phenyl-1,3,5-triazine-2,4-diamine
BZQ
BZQ
表記:DIPHENYLMETHANONE
組成式:C13 H10 O
SMILES:O=C(c1ccccc1)c2ccccc2
InChi:InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
別名:BENZENE, BENZOYL-
定義日:2000-03-08
最終更新日:2020-06-17
識別子（ID）:diphenylmethanone
DKI
DKI
表記:5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE
組成式:C15 H13 F2 N7 O2 S2
SMILES:S=C(n1nc(nc1N)Nc2ccc(cc2)S(=O)(=O)N)Nc3c(F)cccc3F
InChi:InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)
別名:CDK 1/2 INHIBITOR
定義日:2006-03-15
最終更新日:2020-06-17
識別子（ID）:5-amino-N-(2,6-difluorophenyl)-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbothioamide
DLW
DLW
表記:(5~{S})-2-[(~{E})-~{N}-(2-ethoxyphenyl)-~{C}-methyl-carbonimidoyl]-3-oxidanyl-5-phenyl-cyclohex-2-en-1-one
組成式:C22 H23 N O3
SMILES:CCOc1ccccc1N=C(C)C2=C(O)C[CH](CC2=O)c3ccccc3
InChi:InChI=1S/C22H23NO3/c1-3-26-21-12-8-7-11-18(21)23-15(2)22-19(24)13-17(14-20(22)25)16-9-5-4-6-10-16/h4-12,17,24H,3,13-14H2,1-2H3/b23-15+/t17-/m0/s1
別名:KNI-10075
定義日:2018-01-24
最終更新日:2020-06-17
公開日:2018-03-21
識別子（ID）:(5~{S})-2-[(~{E})-~{N}-(2-ethoxyphenyl)-~{C}-methyl-carbonimidoyl]-3-oxidanyl-5-phenyl-cyclohex-2-en-1-one
DLZ
DLZ
表記:1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol
組成式:C13 H18 N4 O6
SMILES:O=C2N=C1N(C(=C(N=C1C(=O)N2)C)C)CC(O)C(O)C(O)CO
InChi:InChI=1S/C13H18N4O6/c1-5-6(2)17(3-7(19)10(21)8(20)4-18)11-9(14-5)12(22)16-13(23)15-11/h7-8,10,18-21H,3-4H2,1-2H3,(H,16,22,23)/t7-,8+,10-/m0/s1
別名:6,7-dimethyl-8-(1'-D-ribityl) lumazine
定義日:2009-06-16
最終更新日:2020-06-17
識別子（ID）:1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol
DM1
DM1
表記:DAUNOMYCIN
組成式:C27 H29 N O10
SMILES:O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)C)CC5OC4OC(C(O)C(N)C4)C
InChi:InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1
別名:DAUNORUBICIN
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
DM5
DM5
表記:IDARUBICIN
組成式:C26 H27 N O9
SMILES:O=C2c1c(O)c5c(c(O)c1C(=O)c3ccccc23)CC(O)(C(=O)C)CC5OC4OC(C(O)C(N)C4)C
InChi:InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1
別名:4-DEMETHOXY-DAUNORUBICIN
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
DM7
DM7
表記:4'-DEOXY-4'-IODODOXORUBICIN
組成式:C27 H29 I N O10
SMILES:O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)CO)CC5OC4OC(C(I)C(C4)[NH3+])C
InChi:InChI=1S/C27H28INO10/c1-10-22(28)13(29)6-17(38-10)39-15-8-27(36,16(31)9-30)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,30,33,35-36H,6-9,29H2,1-2H3/p+1/t10-,13-,15-,17-,22+,27-/m0/s1
別名:4'-DEOXY-4'-IODOADRIAMYCIN
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:(2S,3S,4S,6R)-3-iodo-2-methyl-6-{[(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}tetrahydro-2H-pyran-4-aminium
DM8
DM8
表記:2'-BROMO-4'-EPIDAUNORUBICIN
組成式:C27 H28 Br N O10
SMILES:O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)C)CC5OC4OC(C(O)C(N)C4Br)C
InChi:InChI=1S/C27H28BrNO10/c1-9-21(31)20(29)19(28)26(38-9)39-14-8-27(36,10(2)30)7-12-16(14)25(35)18-17(23(12)33)22(32)11-5-4-6-13(37-3)15(11)24(18)34/h4-6,9,14,19-21,26,31,33,35-36H,7-8,29H2,1-3H3/t9-,14-,19+,20-,21-,26-,27-/m0/s1
別名:WP401
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2-bromo-2,3,6-trideoxy-alpha-L-mannopyranoside
DMP
DMP
表記:[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE
組成式:C35 H38 N2 O5
SMILES:O=C1N(C(C(O)C(O)C(N1Cc2ccc(cc2)CO)Cc3ccccc3)Cc4ccccc4)Cc5ccc(cc5)CO
InChi:InChI=1S/C35H38N2O5/c38-23-29-15-11-27(12-16-29)21-36-31(19-25-7-3-1-4-8-25)33(40)34(41)32(20-26-9-5-2-6-10-26)37(35(36)42)22-28-13-17-30(24-39)18-14-28/h1-18,31-34,38-41H,19-24H2/t31-,32-,33+,34+/m1/s1
別名:DMP323(INHIBITOR OF DUPONT MERCK)
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-one
DMY
DMY
表記:DISTAMYCIN A
組成式:C22 H27 N9 O4
SMILES:O=C(Nc1cc(C(=O)NCCC(=[N@H])N)n(c1)C)c3cc(NC(=O)c2cc(NC=O)cn2C)cn3C
InChi:InChI=1S/C22H27N9O4/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34)
別名:DISTAMYCIN
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:N-[5-({5-[(3-amino-3-iminopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]-4-(formylamino)-1-methyl-1H-pyrrole-2-carboxamide
DN1
DN1
表記:3-({(2S)-2-[({(1R)-1-[({(1R)-1-[(R)-CARBOXY(HYDROXY)METHYL]-3,3-DIFLUOROPROPYL}AMINO)CARBONYL]-3-METHYLBUTYL}AMINO)CARB ONYL]-2,3-DIHYDRO-1H-INDOL-2-YL}METHYL)THIOPHENE-2-CARBOXYLIC ACID
組成式:C26 H31 F2 N3 O7 S
SMILES:O=C(O)C(O)C(NC(=O)C(NC(=O)C2(Nc1ccccc1C2)Cc3c(scc3)C(=O)O)CC(C)C)CC(F)F
InChi:InChI=1S/C26H31F2N3O7S/c1-13(2)9-18(22(33)29-17(10-19(27)28)20(32)23(34)35)30-25(38)26(11-14-5-3-4-6-16(14)31-26)12-15-7-8-39-21(15)24(36)37/h3-8,13,17-20,31-32H,9-12H2,1-2H3,(H,29,33)(H,30,38)(H,34,35)(H,36,37)/t17-,18-,20-,26+/m1/s1
別名:PEPTIDOMIMETIC INHIBITOR
定義日:2004-07-14
最終更新日:2020-06-17
識別子（ID）:3-{[N-({(2S)-2-[(2-carboxythiophen-3-yl)methyl]-2,3-dihydro-1H-indol-2-yl}carbonyl)-D-leucyl]amino}-3,4,5-trideoxy-5,5-difluoro-D-erythro-pentonic acid

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件を2024-07-31に公開中

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