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2AL
2AL
表記:1-(2,5-DIOXO-2,5-DIHYDRO-1H-IMIDAZOL-4-YL)UREA
組成式:C4 H4 N4 O3
SMILES:O=C1C(=NC(=O)N1)NC(=O)N
InChi:InChI=1S/C4H4N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h(H4,5,6,7,8,9,10,11)
別名:ALLANTOIN
定義日:2006-02-07
最終更新日:2021-03-01
識別子（ID）:1-(2,5-dioxo-2,5-dihydro-1H-imidazol-4-yl)urea
2AR
2AR
表記:2'-DEOXYARISTEROMYCIN-5'-PHOSPHATE
組成式:C11 H16 N5 O5 P
SMILES:O=P(O)(O)OCC3CC(n1c2ncnc(c2nc1)N)CC3O
InChi:InChI=1S/C11H16N5O5P/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-6(8(17)2-7)3-21-22(18,19)20/h4-8,17H,1-3H2,(H2,12,13,14)(H2,18,19,20)/t6-,7-,8+/m1/s1
別名:[ADENIN-9-YL-3-HYDROXY-CYCLOPENTAN-5-YL]-METHYL-5'-PHOSPHATE
定義日:2000-05-04
最終更新日:2021-03-01
識別子（ID）:[(1R,2S,4R)-4-(6-amino-9H-purin-9-yl)-2-hydroxycyclopentyl]methyl dihydrogen phosphate
CWT
CWT
表記:(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-(propan-2-ylamino)imidazol-4-one
組成式:C15 H17 N3 O3
SMILES:O=C1N(C(=N/C1=Cc2ccc3OCOc3c2)NC(C)C)C
InChi:InChI=1S/C15H17N3O3/c1-9(2)16-15-17-11(14(19)18(15)3)6-10-4-5-12-13(7-10)21-8-20-12/h4-7,9H,8H2,1-3H3,(H,16,17)/b11-6-
別名:Leucettine L4
定義日:2012-08-22
最終更新日:2021-03-01
公開日:2013-01-25
識別子（ID）:(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-(propan-2-ylamino)-3,5-dihydro-4H-imidazol-4-one
2BH
2BH
表記:[(1E,5S)-5-AMINO-5-CARBOXYPENT-1-ENYL](TRIHYDROXY)BORATE(1-)
組成式:C6 H13 B N O5
SMILES:O=C(O)C(N)CC/C=C/[B-](O)(O)O
InChi:InChI=1S/C6H13BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h2,4-5,11-13H,1,3,8H2,(H,9,10)/q-1/b4-2+/t5-/m0/s1
別名:DEHYDRO-2(S)-AMINO-6-BORONOHEXANOIC ACID
定義日:2004-06-15
最終更新日:2021-03-01
識別子（ID）:[(1E,5S)-5-amino-5-carboxypent-1-en-1-yl](trihydroxy)borate(1-)
2BT
2BT
表記:2'-O-BUTYL-THYMIDINE
組成式:C14 H23 N2 O9 P
SMILES:O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCCC)COP(=O)(O)O
InChi:InChI=1S/C14H23N2O9P/c1-3-4-5-23-11-10(17)9(7-24-26(20,21)22)25-13(11)16-6-8(2)12(18)15-14(16)19/h6,9-11,13,17H,3-5,7H2,1-2H3,(H,15,18,19)(H2,20,21,22)/t9-,10-,11-,13-/m1/s1
別名:2'-O-BUTYL-5-METHYLURIDINE
定義日:2004-12-16
最終更新日:2021-03-01
識別子（ID）:2'-O-butyl-5-methyluridine 5'-(dihydrogen phosphate)
2BV
2BV
表記:(R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid
組成式:C18 H28 Cl2 N O3 P
SMILES:Clc1ccc(cc1Cl)C(NCC(O)CP(=O)(O)CC2CCCCC2)C
InChi:InChI=1S/C18H28Cl2NO3P/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14/h7-9,13-14,16,21-22H,2-6,10-12H2,1H3,(H,23,24)/t13-,16-/m0/s1
別名:CGP 54626
定義日:2013-09-19
最終更新日:2021-03-01
公開日:2013-12-11
識別子（ID）:(R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid
2BX
2BX
表記:[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid
組成式:C8 H15 N O3
SMILES:O=C(O)CC1OCC(NC1)(C)C
InChi:InChI=1S/C8H15NO3/c1-8(2)5-12-6(4-9-8)3-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1
別名:SCH50911
定義日:2013-09-19
最終更新日:2021-03-01
公開日:2013-12-11
識別子（ID）:[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid
CY9
CY9
表記:(3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-3-benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-15-yl acetate
組成式:C30 H37 N O6
SMILES:O=C1NC(C3C12C(C=CCC(C(=O)C(O)(C=CC2OC(=O)C)C)C)C(O)/C(=C)C3C)Cc4ccccc4
InChi:InChI=1S/C30H37NO6/c1-17-10-9-13-22-26(33)19(3)18(2)25-23(16-21-11-7-6-8-12-21)31-28(35)30(22,25)24(37-20(4)32)14-15-29(5,36)27(17)34/h6-9,11-15,17-18,22-26,33,36H,3,10,16H2,1-2,4-5H3,(H,31,35)/b13-9+,15-14+/t17-,18+,22-,23-,24+,25-,26+,29+,30+/m0/s1
別名:Cytochalasin D
定義日:2008-09-25
最終更新日:2021-03-01
識別子（ID）:(3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-3-benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-15-yl acetate
CYQ
CYQ
表記:2-AMINO-3-PHOSPHONOMETHYLSULFANYL-PROPIONIC ACID
組成式:C4 H10 N O5 P S
SMILES:O=P(O)(O)CSCC(N)C(=O)O
InChi:InChI=1S/C4H10NO5PS/c5-3(4(6)7)1-12-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
別名:S-METHYL PHOSPHOCYSTEINE
定義日:1999-10-04
最終更新日:2021-03-01
識別子（ID）:S-(phosphonomethyl)-L-cysteine
CZE
CZE
表記:(2-{4-[(S)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid
組成式:C21 H25 Cl N2 O3
SMILES:OC(=O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(cc3)Cl
InChi:InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m0/s1
別名:(S)-dextrocetirizine
定義日:2015-09-16
最終更新日:2021-03-01
公開日:2015-12-23
識別子（ID）:(2-{4-[(S)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid
CZI
CZI
表記:(2R)-8-BENZYL-2-HYDROPEROXY-6-(4-HYDROXYPHENYL)-2-(4-IODOBENZYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)-ONE
組成式:C26 H22 I N3 O4
SMILES:Ic1ccc(cc1)CC5(OO)N=C2N(C=C(NC2Cc3ccccc3)c4ccc(O)cc4)C5=O
InChi:InChI=1S/C26H22IN3O4/c27-20-10-6-18(7-11-20)15-26(34-33)25(32)30-16-23(19-8-12-21(31)13-9-19)28-22(24(30)29-26)14-17-4-2-1-3-5-17/h1-13,16,22,28,31,33H,14-15H2/t22-,26+/m1/s1
別名:I-COELENETERAZINE
定義日:2003-07-07
最終更新日:2021-03-01
識別子（ID）:(2S,8R)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(4-iodobenzyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-one
CZN
CZN
表記:(2S,8R)-8-BENZYL-2-HYDROPEROXY-6-(4-HYDROXYPHENYL)-2-(2-NAPHTHYLMETHYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)-ONE
組成式:C30 H25 N3 O4
SMILES:O=C1N4C=C(NC(C4=NC1(OO)Cc3cc2ccccc2cc3)Cc5ccccc5)c6ccc(O)cc6
InChi:InChI=1S/C30H25N3O4/c34-25-14-12-23(13-15-25)27-19-33-28(26(31-27)17-20-6-2-1-3-7-20)32-30(37-36,29(33)35)18-21-10-11-22-8-4-5-9-24(22)16-21/h1-16,19,26,31,34,36H,17-18H2/t26-,30-/m0/s1
別名:N-COELENETERAZINE
定義日:2003-07-07
最終更新日:2021-03-01
識別子（ID）:(2S,8S)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(naphthalen-2-ylmethyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-one
D05
D05
表記:6-(3,4-DIHYDROXYBENZYL)-3-ETHYL-1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4(5H)-ONE
組成式:C20 H15 Cl3 N4 O3
SMILES:Clc1cc(Cl)cc(Cl)c1n4nc(c2c4N=C(NC2=O)Cc3ccc(O)c(O)c3)CC
InChi:InChI=1S/C20H15Cl3N4O3/c1-2-13-17-19(27(26-13)18-11(22)7-10(21)8-12(18)23)24-16(25-20(17)30)6-9-3-4-14(28)15(29)5-9/h3-5,7-8,28-29H,2,6H2,1H3,(H,24,25,30)
別名:DIN-232305
定義日:2005-09-28
最終更新日:2021-03-01
識別子（ID）:6-(3,4-dihydroxybenzyl)-3-ethyl-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
D0F
D0F
表記:(2S)-2-[[(2S)-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
組成式:C23 H32 N2 O4
SMILES:OC(=O)[CH](Cc1ccccc1)NC(=O)[CH]2CCCN2C(=O)CCC3CCCCC3
InChi:InChI=1S/C23H32N2O4/c26-21(14-13-17-8-3-1-4-9-17)25-15-7-12-20(25)22(27)24-19(23(28)29)16-18-10-5-2-6-11-18/h2,5-6,10-11,17,19-20H,1,3-4,7-9,12-16H2,(H,24,27)(H,28,29)/t19-,20-/m0/s1
別名:N-(3-cyclohexylpropanoyl)-L-prolyl-L-phenylalanine
定義日:2019-05-29
最終更新日:2021-03-01
公開日:2020-05-27
識別子（ID）:(2~{S})-2-[[(2~{S})-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
D0R
D0R
表記:N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide
組成式:C32 H45 N5 O3 S
SMILES:O=C(NC(Cc1ccccc1)CC(O)C(N)Cc2ccccc2)C(NC(=O)N(Cc3nc(sc3)C(C)C)C)C(C)C
InChi:InChI=1S/C32H45N5O3S/c1-21(2)29(36-32(40)37(5)19-26-20-41-31(35-26)22(3)4)30(39)34-25(16-23-12-8-6-9-13-23)18-28(38)27(33)17-24-14-10-7-11-15-24/h6-15,20-22,25,27-29,38H,16-19,33H2,1-5H3,(H,34,39)(H,36,40)/t25-,27-,28-,29-/m0/s1
別名:desthiazolylmethyloxycarbonyl ritonavir
定義日:2011-08-26
最終更新日:2021-03-01
識別子（ID）:N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide
D19
D19
表記:2,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURAN
組成式:C24 H28 N4 O
SMILES:o1c(ccc1c2ccc(cc2)C(N)NC3CC3)c4ccc(cc4)C(N)NC5CC5
InChi:InChI=1S/C24H28N4O/c25-23(27-19-9-10-19)17-5-1-15(2-6-17)21-13-14-22(29-21)16-3-7-18(8-4-16)24(26)28-20-11-12-20/h1-8,13-14,19-20,23-24,27-28H,9-12,25-26H2/t23-,24+
別名:FURAMIDINE DERIVATIVE
定義日:1999-07-08
最終更新日:2021-03-01
識別子（ID）:(S,R)-(furan-2,5-diyldibenzene-4,1-diyl)bis(N-cyclopropylmethanediamine)
D1V
D1V
表記:2-mercapto(3H)quinazolinone
組成式:C8 H6 N2 O S
SMILES:O=C1c2c(N=C(S)N1)cccc2
InChi:InChI=1S/C8H6N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)
別名:2-sulfanylquinazolin-4(3H)-one
定義日:2008-05-08
最終更新日:2021-03-01
識別子（ID）:2-sulfanylquinazolin-4(3H)-one
D23
D23
表記:6-(3-AMINOPHENYL)-N-(TERT-BUTYL)-2-(TRIFLUOROMETHYL)QUINAZOLIN-4-AMINE
組成式:C19 H19 F3 N4
SMILES:FC(F)(F)c3nc1c(cc(cc1)c2cccc(N)c2)c(n3)NC(C)(C)C
InChi:InChI=1S/C19H19F3N4/c1-18(2,3)26-16-14-10-12(11-5-4-6-13(23)9-11)7-8-15(14)24-17(25-16)19(20,21)22/h4-10H,23H2,1-3H3,(H,24,25,26)
別名:DIN-234325
定義日:2005-09-28
最終更新日:2021-03-01
識別子（ID）:6-(3-aminophenyl)-N-tert-butyl-2-(trifluoromethyl)quinazolin-4-amine
ITQ
ITQ
表記:1,2,3,4-Tetrahydrogen Staurosporine
組成式:C28 H28 N4 O3
SMILES:O=C4N=Cc3c2c1ccccc1n7c2c5n(c6c(c5c34)CCCC6)C8OC7(C)C(OC)C(NC)C8
InChi:InChI=1S/C28H28N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h5,7,9,11,13,17,20,26,29H,4,6,8,10,12H2,1-3H3/t17-,20-,26-,28+/m1/s1
別名:Staurosporine Analogue - AFN941
定義日:2013-03-14
最終更新日:2021-03-01
公開日:2013-03-27
識別子（ID）:(5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,10,11,12,13-octahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one
IVF
IVF
表記:N-(iodoacetyl)-L-valyl-L-phenylalaninamide
組成式:C16 H22 I N3 O3
SMILES:ICC(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)C(C)C
InChi:InChI=1S/C16H22IN3O3/c1-10(2)14(20-13(21)9-17)16(23)19-12(15(18)22)8-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H2,18,22)(H,19,23)(H,20,21)/t12-,14-/m0/s1
別名:iodoacetyl-valyl-phenylalanyl-amide
定義日:2012-05-07
最終更新日:2021-03-01
識別子（ID）:N-(iodoacetyl)-L-valyl-L-phenylalaninamide
IVV
IVV
表記:N-(3-methylbutanoyl)-L-valyl-N-{(1R)-1-[(R)-(2-ethoxy-2-oxoethyl)(hydroxy)phosphoryl]-3-methylbutyl}-L-valinamide
組成式:C24 H46 N3 O7 P
SMILES:O=P(O)(C(NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)CC(C)C)CC(=O)OCC
InChi:InChI=1S/C24H46N3O7P/c1-10-34-20(29)13-35(32,33)19(12-15(4)5)26-23(30)22(17(8)9)27-24(31)21(16(6)7)25-18(28)11-14(2)3/h14-17,19,21-22H,10-13H2,1-9H3,(H,25,28)(H,26,30)(H,27,31)(H,32,33)/t19-,21+,22+/m1/s1
別名:PHOSPHINIC ACID ANALOGUE OF STATIN (IVA)-VAL-VAL-STA(P)-O-ET
定義日:2010-10-28
最終更新日:2021-03-01
識別子（ID）:N-(3-methylbutanoyl)-L-valyl-N-{(1R)-1-[(R)-(2-ethoxy-2-oxoethyl)(hydroxy)phosphoryl]-3-methylbutyl}-L-valinamide
IWD
IWD
表記:2-AMINO-3-(5-IODO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID
組成式:C7 H8 I N3 O4
SMILES:O=C(O)C(N)CN1C=C(I)C(=O)NC1=O
InChi:InChI=1S/C7H8IN3O4/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:IODO-WILLARDIINE
定義日:2002-09-18
最終更新日:2021-03-01
識別子（ID）:3-(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine
IXM
IXM
表記:(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME
組成式:C16 H11 N3 O2
SMILES:O=C2C(c1ccccc1N2)=C4C(=NO)c3ccccc3N4
InChi:InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+
別名:INDIRUBIN-3'-MONOXIME
定義日:2003-08-06
最終更新日:2021-03-01
識別子（ID）:(2Z,3E)-2,3'-biindole-2',3(1H,1'H)-dione 3-oxime
IXO
IXO
表記:4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium
組成式:C10 H17 N2 O2
SMILES:C(#CCOC1=NOCC1)C[N+](C)(C)C
InChi:InChI=1S/C10H17N2O2/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10/h6-9H2,1-3H3/q+1
別名:Iperoxo
定義日:2013-09-20
最終更新日:2021-03-01
公開日:2013-11-27
識別子（ID）:4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium
IYZ
IYZ
表記:1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE
組成式:C18 H18 N4 O
SMILES:O=C(c4cccc(c1cnc2ccc(nn12)NCC3CC3)c4)C
InChi:InChI=1S/C18H18N4O/c1-12(23)14-3-2-4-15(9-14)16-11-20-18-8-7-17(21-22(16)18)19-10-13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3,(H,19,21)
別名:IMIDAZOPYRIDAZIN 1
定義日:2005-10-07
最終更新日:2021-03-01
識別子（ID）:1-(3-{6-[(cyclopropylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}phenyl)ethanone

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件を2024-08-14に公開中

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