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IP7
IP7
表記:N~3~-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-2-YLMETHOXY)BENZYL]PYRIDINE-2,3-DIAMINE
組成式:C26 H23 N5 O
SMILES:n1ccccc1COc4ccc(c2ccc3c(c2)ncc3)cc4CNc5cccnc5N
InChi:InChI=1S/C26H23N5O/c27-26-23(5-3-12-30-26)31-16-21-14-19(20-7-6-18-10-13-29-24(18)15-20)8-9-25(21)32-17-22-4-1-2-11-28-22/h1-15,29,31H,16-17H2,(H2,27,30)
定義日:2007-01-12
最終更新日:2011-06-04
識別子（ID）:N~3~-[5-(1H-indol-6-yl)-2-(pyridin-2-ylmethoxy)benzyl]pyridine-2,3-diamine
IPF
IPF
表記:N-ACETYLTRYPTOPHYL-N~1~-{3-[1-(N-ACETYLTRYPTOPHYLVALYL)PYRROLIDIN-2-YL]-1-BENZYL-2,3-DIHYDROXYPROPYL}VALINAMIDE
組成式:C50 H64 N8 O8
SMILES:O=C(NC(C(=O)NC(C(=O)NC(Cc1ccccc1)C(O)C(O)C4N(C(=O)C(NC(=O)C(NC(=O)C)Cc3c2ccccc2nc3)C(C)C)CCC4)C(C)C)Cc6c5ccccc5nc6)C
InChi:InChI=1S/C50H64N8O8/c1-28(2)43(56-47(63)40(53-30(5)59)24-33-26-51-37-19-12-10-17-35(33)37)49(65)55-39(23-32-15-8-7-9-16-32)45(61)46(62)42-21-14-22-58(42)50(66)44(29(3)4)57-48(64)41(54-31(6)60)25-34-27-52-38-20-13-11-18-36(34)38/h7-13,15-20,26-29,39-46,51-52,61-62H,14,21-25H2,1-6H3,(H,53,59)(H,54,60)(H,55,65)(H,56,63)(H,57,64)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
定義日:2005-06-27
最終更新日:2011-06-04
識別子（ID）:N-acetyl-L-tryptophyl-N-{(1S,2S,3S)-3-[(2S)-1-(N-acetyl-L-tryptophyl-L-valyl)pyrrolidin-2-yl]-1-benzyl-2,3-dihydroxypropyl}-L-valinamide
IPH
IPH
表記:PHENOL
組成式:C6 H6 O
SMILES:Oc1ccccc1
InChi:InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:phenol
IPK
IPK
表記:2-({4-[(4-benzylpiperidin-1-yl)carbonyl]benzyl}sulfanyl)-3H-imidazo[4,5-c]pyridine
組成式:C26 H26 N4 O S
SMILES:O=C(c1ccc(cc1)CSc3nc2ccncc2n3)N5CCC(Cc4ccccc4)CC5
InChi:InChI=1S/C26H26N4OS/c31-25(30-14-11-20(12-15-30)16-19-4-2-1-3-5-19)22-8-6-21(7-9-22)18-32-26-28-23-10-13-27-17-24(23)29-26/h1-10,13,17,20H,11-12,14-16,18H2,(H,28,29)
定義日:2009-09-04
最終更新日:2011-06-04
識別子（ID）:(4-benzylpiperidin-1-yl){4-[(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)methyl]phenyl}methanone
IPL
IPL
表記:INDOLE-3-PROPANOL PHOSPHATE
組成式:C11 H14 N O4 P
SMILES:O=P(O)(O)OCCCc2c1ccccc1nc2
InChi:InChI=1S/C11H14NO4P/c13-17(14,15)16-7-3-4-9-8-12-11-6-2-1-5-10(9)11/h1-2,5-6,8,12H,3-4,7H2,(H2,13,14,15)
定義日:2000-06-30
最終更新日:2011-06-04
識別子（ID）:3-(1H-indol-3-yl)propyl dihydrogen phosphate
IPO
IPO
表記:PARA-IODO-D-PHENYLALANINE HYDROXAMIC ACID
組成式:C9 H11 I N2 O2
SMILES:Ic1ccc(cc1)CC(C(=O)NO)N
InChi:InChI=1S/C9H11IN2O2/c10-7-3-1-6(2-4-7)5-8(11)9(13)12-14/h1-4,8,14H,5,11H2,(H,12,13)/t8-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:N-hydroxy-4-iodo-D-phenylalaninamide
IPP
IPP
表記:(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACID
組成式:C9 H11 I N O3 P
SMILES:Ic1ccc(cc1)CC(=O)NCP(=O)O
InChi:InChI=1S/C9H11INO3P/c10-8-3-1-7(2-4-8)5-9(12)11-6-15(13)14/h1-4,15H,5-6H2,(H,11,12)(H,13,14)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(R)-({[(4-iodophenyl)acetyl]amino}methyl)phosphinic acid
IPX
IPX
表記:4-[(1R,2R)-2-{[(5-fluoro-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-1-yl]butanoic acid
組成式:C22 H21 F N2 O3
SMILES:O=C(O)CCCC4c1ccccc1CC4NC(=O)c3cc2cc(F)ccc2n3
InChi:InChI=1S/C22H21FN2O3/c23-15-8-9-18-14(10-15)12-20(24-18)22(28)25-19-11-13-4-1-2-5-16(13)17(19)6-3-7-21(26)27/h1-2,4-5,8-10,12,17,19,24H,3,6-7,11H2,(H,25,28)(H,26,27)/t17-,19-/m1/s1
定義日:2010-04-13
最終更新日:2011-06-04
識別子（ID）:4-[(1R,2R)-2-{[(5-fluoro-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-1-yl]butanoic acid
IQA
IQA
表記:(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-7-YL)-ACETIC ACID
組成式:C17 H12 N2 O3
SMILES:O=C(O)Cc3c2NC(=O)c1c(cccc1)n2c4ccccc34
InChi:InChI=1S/C17H12N2O3/c20-15(21)9-12-10-5-1-3-7-13(10)19-14-8-4-2-6-11(14)17(22)18-16(12)19/h1-8H,9H2,(H,18,22)(H,20,21)
定義日:2003-03-14
最終更新日:2011-06-04
識別子（ID）:(5-oxo-5,6-dihydroindolo[1,2-a]quinazolin-7-yl)acetic acid
IQU
IQU
表記:N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE
組成式:C11 H13 N3 O2 S
SMILES:O=S(=O)(c1cccc2c1ccnc2)NCCN
InChi:InChI=1S/C11H13N3O2S/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11/h1-4,6,8,14H,5,7,12H2
定義日:2006-04-18
最終更新日:2011-06-04
識別子（ID）:N-(2-aminoethyl)isoquinoline-5-sulfonamide
IQZ
IQZ
表記:(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-a]quinolizin-7(6H)-one
組成式:C15 H16 N2 O
SMILES:O=C1CN2CCCC[CH]2c3[nH]c4ccccc4c13
InChi:InChI=1S/C15H16N2O/c18-13-9-17-8-4-3-7-12(17)15-14(13)10-5-1-2-6-11(10)16-15/h1-2,5-6,12,16H,3-4,7-9H2/t12-/m0/s1
定義日:2004-01-08
最終更新日:2011-06-04
識別子（ID）:(5S,12bS)-2,3,4,6,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-7-one
IRN
IRN
表記:1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole
組成式:C8 H13 N2 O7 P
SMILES:O=P(O)(O)OCC2OC(n1cncc1)C(O)C2O
InChi:InChI=1S/C8H13N2O7P/c11-6-5(3-16-18(13,14)15)17-8(7(6)12)10-2-1-9-4-10/h1-2,4-8,11-12H,3H2,(H2,13,14,15)/t5-,6-,7-,8-/m1/s1
定義日:2008-10-03
最終更新日:2011-06-04
識別子（ID）:1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole
IRP
IRP
表記:(1S)-1(9-DEAZAHYPOXANTHIN-9YL)1,4-DIDEOXY-1,4-IMINO-D-RIBITOL-5-PHOSPHATE
組成式:C11 H15 N4 O7 P
SMILES:O=P(OCC3NC(c2c1N=CNC(=O)c1nc2)C(O)C3O)(O)O
InChi:InChI=1S/C11H15N4O7P/c16-9-5(2-22-23(19,20)21)15-7(10(9)17)4-1-12-8-6(4)13-3-14-11(8)18/h1,3,5,7,9-10,12,15-17H,2H2,(H,13,14,18)(H2,19,20,21)/t5-,7+,9-,10+/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:[(2R,3R,4S,5S)-3,4-dihydroxy-5-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidin-2-yl]methyl dihydrogen phosphate
ISH
ISH
表記:(7R)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1H-furo[3,2-e]benzimidazol-2-amine
組成式:C17 H27 N5 O
SMILES:CN(C)CCCn1c(N)nc2ccc3O[CH](CN(C)C)Cc3c12
InChi:InChI=1S/C17H27N5O/c1-20(2)8-5-9-22-16-13-10-12(11-21(3)4)23-15(13)7-6-14(16)19-17(22)18/h6-7,12H,5,8-11H2,1-4H3,(H2,18,19)/t12-/m1/s1
定義日:2010-02-25
最終更新日:2011-06-04
識別子（ID）:(7R)-7-(dimethylaminomethyl)-1-[3-(dimethylamino)propyl]-7,8-dihydrofuro[3,2-e]benzimidazol-2-amine
ISI
ISI
表記:(7S)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1H-furo[3,2-e]benzimidazol-2-amine
組成式:C17 H27 N5 O
SMILES:CN(C)CCCn1c(N)nc2ccc3O[CH](CN(C)C)Cc3c12
InChi:InChI=1S/C17H27N5O/c1-20(2)8-5-9-22-16-13-10-12(11-21(3)4)23-15(13)7-6-14(16)19-17(22)18/h6-7,12H,5,8-11H2,1-4H3,(H2,18,19)/t12-/m0/s1
定義日:2010-02-17
最終更新日:2011-06-04
識別子（ID）:(7S)-7-(dimethylaminomethyl)-1-[3-(dimethylamino)propyl]-7,8-dihydrofuro[3,2-e]benzimidazol-2-amine
ISN
ISN
表記:ISATIN
組成式:C8 H5 N O2
SMILES:O=C2c1ccccc1NC2=O
InChi:InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
定義日:2003-07-08
最終更新日:2011-06-04
識別子（ID）:1H-indole-2,3-dione
ISO
ISO
表記:PARA-ISOPROPYLANILINE
組成式:C9 H13 N
SMILES:Nc1ccc(cc1)C(C)C
InChi:InChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:4-(propan-2-yl)aniline
ISQ
ISQ
表記:ISOQUINOLINE
組成式:C9 H7 N
SMILES:n2ccc1c(cccc1)c2
InChi:InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:isoquinoline
ISS
ISS
表記:(2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal
組成式:C7 H11 N O3
SMILES:O=C(CN/C=C/C=O)CCO
InChi:InChI=1S/C7H11NO3/c9-4-1-3-8-6-7(11)2-5-10/h1,3-4,8,10H,2,5-6H2/b3-1+
定義日:2007-10-24
最終更新日:2011-06-04
識別子（ID）:(2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal
ITD
ITD
表記:(6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate
組成式:C21 H34 N4 S2
SMILES:N2=C1SC=C(N1CC2(C)C)CSC(=N/C3CCCCC3)NC4CCCCC4
InChi:InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23)
定義日:2010-10-08
最終更新日:2011-06-04
識別子（ID）:(6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylcarbamimidothioate
ITI
ITI
表記:N-[3-(5-{2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}imidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylacetamide
組成式:C33 H29 N7 O2 S
SMILES:O=C(Nc6cccc(c1nc5sccn5c1c2nc(ncc2)Nc4ccc(N3CCOCC3)cc4)c6)Cc7ccccc7
InChi:InChI=1S/C33H29N7O2S/c41-29(21-23-5-2-1-3-6-23)35-26-8-4-7-24(22-26)30-31(40-17-20-43-33(40)38-30)28-13-14-34-32(37-28)36-25-9-11-27(12-10-25)39-15-18-42-19-16-39/h1-14,17,20,22H,15-16,18-19,21H2,(H,35,41)(H,34,36,37)
定義日:2010-03-08
最終更新日:2011-06-04
識別子（ID）:N-{3-[5-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}-2-phenylacetamide
ITL
ITL
表記:(3alpha,5alpha,8alpha)-3-[(N,N-bis{2-[bis(carboxymethyl)amino]ethyl}-L-gamma-glutamyl)amino]cholan-24-oic acid
組成式:C41 H66 N4 O13
SMILES:O=C(O)CN(CC(=O)O)CCN(CCN(CC(=O)O)CC(=O)O)C(C(=O)O)CCC(=O)NC4CCC3(C(CCC2C1CCC(C1(C)CCC23)C(C)CCC(=O)O)C4)C
InChi:InChI=1S/C41H66N4O13/c1-25(4-11-34(47)48)29-7-8-30-28-6-5-26-20-27(12-14-40(26,2)31(28)13-15-41(29,30)3)42-33(46)10-9-32(39(57)58)45(18-16-43(21-35(49)50)22-36(51)52)19-17-44(23-37(53)54)24-38(55)56/h25-32H,4-24H2,1-3H3,(H,42,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)/t25-,26-,27+,28+,29-,30+,31+,32+,40+,41-/m1/s1
定義日:2008-07-09
最終更新日:2011-06-04
識別子（ID）:(3alpha,5alpha,8alpha)-3-[(N,N-bis{2-[bis(carboxymethyl)amino]ethyl}-L-gamma-glutamyl)amino]cholan-24-oic acid
ITR
ITR
表記:IMINO-TRYPTOPHAN
組成式:C11 H10 N2 O2
SMILES:O=C(O)C(=[N@H])Cc2c1ccccc1nc2
InChi:InChI=1S/C11H10N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,12-13H,5H2,(H,14,15)/b12-9-
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(2Z)-2-imino-3-(1H-indol-3-yl)propanoic acid
IU
IU
表記:5-IODOURIDINE-5'-MONOPHOSPHATE
組成式:C9 H12 I N2 O9 P
SMILES:IC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C9H12IN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1
定義日:2005-05-31
最終更新日:2011-06-04
識別子（ID）:5-iodouridine 5'-(dihydrogen phosphate)
IUR
IUR
表記:5-IODOURACIL
組成式:C4 H3 I N2 O2
SMILES:IC1=CNC(=O)NC1=O
InChi:InChI=1S/C4H3IN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
定義日:2002-01-15
最終更新日:2011-06-04
識別子（ID）:5-iodopyrimidine-2,4(1H,3H)-dione

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