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B97
B97
Name:(10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one
Formula:C21 H18 N4 O S
SMILES:O=C3NC(CNc2c4c1ccc(nc1ccc4sc23)c5ccc(nc5)C)C
InChi:InChI=1S/C21H18N4OS/c1-11-3-4-13(10-22-11)15-6-5-14-16(25-15)7-8-17-18(14)19-20(27-17)21(26)24-12(2)9-23-19/h3-8,10,12,23H,9H2,1-2H3,(H,24,26)/t12-/m1/s1
Definition date:2009-01-28
Last modified:2011-06-04
Identifier:(10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one
B98
B98
Name:(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one
Formula:C13 H15 N3 O2 S
SMILES:O=C2NC(CNc1c3cc(OC)ccc3sc12)CN
InChi:InChI=1S/C13H15N3O2S/c1-18-8-2-3-10-9(4-8)11-12(19-10)13(17)16-7(5-14)6-15-11/h2-4,7,15H,5-6,14H2,1H3,(H,16,17)/t7-/m1/s1
Definition date:2009-01-28
Last modified:2011-06-04
Identifier:(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one
B99
B99
Name:(2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy}-3-(1H-indol-3-yl)propan-2-amine
Formula:C28 H25 N5 O2
SMILES:Cc1[nH]nc2ccc(cc12)c3cc(OC[CH](N)Cc4c[nH]c5ccccc45)cnc3c6cocc6
InChi:InChI=1S/C28H25N5O2/c1-17-24-11-18(6-7-27(24)33-32-17)25-12-22(14-31-28(25)19-8-9-34-15-19)35-16-21(29)10-20-13-30-26-5-3-2-4-23(20)26/h2-9,11-15,21,30H,10,16,29H2,1H3,(H,32,33)/t21-/m0/s1
Definition date:2009-11-10
Last modified:2011-06-04
Identifier:(2S)-1-[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy-3-(1H-indol-3-yl)propan-2-amine
B9A
B9A
Name:MACROCYCLIC-BIS-9-AMINO-ACRIDINE
Formula:C46 H58 N8 O2 S2
SMILES:O=C4NCCSCc7c6nc1c(cccc1)c(NCCCNCCCCNCCCNc3c5c(nc2c(cccc23)CSCCNC(O)CC4)cccc5)c6ccc7
InChi:InChI=1S/C46H58N8O2S2/c55-41-19-20-42(56)50-28-30-58-32-34-12-8-16-38-44(34)54-40-18-4-2-14-36(40)46(38)52-26-10-24-48-22-6-5-21-47-23-9-25-51-45-35-13-1-3-17-39(35)53-43-33(11-7-15-37(43)45)31-57-29-27-49-41/h1-4,7-8,11-18,41,47-49,51-52,55H,5-6,9-10,19-32H2,(H,50,56)
Definition date:2000-08-02
Last modified:2011-06-04
Identifier:14-hydroxy-7,18-dithia-10,15,26,34,38,43,47,55-octaazaheptacyclo[46.8.0.0~5,56~.0~20,25~.0~24,33~.0~27,32~.0~49,54~]hexapentaconta-1(56),2,4,20,22,24,26,27,29,31,32,48,50,52,54-pentadecaen-11-one (non-preferred name)
BA1
BA1
Name:BALANOL
Formula:C28 H26 N2 O10
SMILES:O=C(O)c1cccc(O)c1C(=O)c2c(O)cc(cc2O)C(=O)OC4CCCNCC4NC(=O)c3ccc(O)cc3
InChi:InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:2-{[2,6-dihydroxy-4-({[(3R,4R)-3-{[(4-hydroxyphenyl)carbonyl]amino}azepan-4-yl]oxy}carbonyl)phenyl]carbonyl}-3-hydroxybenzoic acid
BA2
BA2
Name:5'-DEOXY-5'-(ETHYLAMINO)-8-{[4-({5-[(3AS,4S,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOYL}AMINO)BUTYL]AMINO}ADENOSINE
Formula:C26 H42 N10 O5 S
SMILES:O=C1NC2C(SCC2N1)CCCCC(=O)NCCCCNc3nc5c(ncnc5n3C4OC(CNCC)C(O)C4O)N
InChi:InChI=1S/C26H42N10O5S/c1-2-28-11-15-20(38)21(39)24(41-15)36-23-19(22(27)31-13-32-23)34-25(36)30-10-6-5-9-29-17(37)8-4-3-7-16-18-14(12-42-16)33-26(40)35-18/h13-16,18,20-21,24,28,38-39H,2-12H2,1H3,(H,29,37)(H,30,34)(H2,27,31,32)(H2,33,35,40)/t14-,15+,16-,18-,20+,21+,24+/m0/s1
Definition date:2007-02-07
Last modified:2011-06-04
Identifier:5'-deoxy-5'-(ethylamino)-8-{[4-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)butyl]amino}adenosine
BA3
BA3
Name:BIS(ADENOSINE)-5'-TRIPHOSPHATE
Formula:C20 H27 N10 O16 P3
SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O
InChi:InChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-47(35,36)45-49(39,40)46-48(37,38)42-2-8-12(32)14(34)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
Definition date:2003-12-04
Last modified:2011-06-04
Identifier:[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
BAB
BAB
Name:BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE
Formula:C17 H19 N8
SMILES:n2c1ccc(cc1nc2Cc4[nH+]c3ccc(C(=[NH2+])N)cc3n4)C(=[NH2+])N
InChi:InChI=1S/C17H16N8/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15/h1-6H,7H2,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)/p+3
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:6-[amino(iminio)methyl]-2-({6-[amino(iminio)methyl]-1H-benzimidazol-2-yl}methyl)-1H-benzimidazol-3-ium
LEW
LEW
Name:1-beta-D-glucopyranosyl-4-naphthalen-1-yl-1H-1,2,3-triazole
Formula:C18 H19 N3 O5
SMILES:n1nn(cc1c3c2ccccc2ccc3)C4OC(C(O)C(O)C4O)CO
InChi:InChI=1S/C18H19N3O5/c22-9-14-15(23)16(24)17(25)18(26-14)21-8-13(19-20-21)12-7-3-5-10-4-1-2-6-11(10)12/h1-8,14-18,22-25H,9H2/t14-,15-,16+,17-,18-/m1/s1
Definition date:2009-02-05
Last modified:2011-06-04
Identifier:1-beta-D-glucopyranosyl-4-naphthalen-1-yl-1H-1,2,3-triazole
1BY
1BY
Name:[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID)
Formula:C7 H12 N2 O6 P2
SMILES:O=P(O)(O)C(CNc1ncccc1)P(=O)(O)O
InChi:InChI=1S/C7H12N2O6P2/c10-16(11,12)7(17(13,14)15)5-9-6-3-1-2-4-8-6/h1-4,7H,5H2,(H,8,9)(H2,10,11,12)(H2,13,14,15)
Definition date:2006-08-14
Last modified:2011-06-04
Identifier:[2-(pyridin-2-ylamino)ethane-1,1-diyl]bis(phosphonic acid)
BAF
BAF
Name:(TERT-BUTYLOXYCARBONYL)-ALANYL-AMINO ETHYL-FORMAMIDE
Formula:C11 H21 N3 O4
SMILES:O=C(OC(C)(C)C)NC(C(=O)NC(NC=O)C)C
InChi:InChI=1S/C11H21N3O4/c1-7(9(16)14-8(2)12-6-15)13-10(17)18-11(3,4)5/h6-8H,1-5H3,(H,12,15)(H,13,17)(H,14,16)/t7-,8-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:N~2~-(tert-butoxycarbonyl)-N-[(1S)-1-(formylamino)ethyl]-L-alaninamide
BAH
BAH
Name:BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE
Formula:C17 H18 N8 O2
SMILES:n1c4ccc(C(=[NH2+])N)cc4nc1C(O)(O)c3nc2ccc(cc2n3)C(=[NH2+])N
InChi:InChI=1S/C17H16N8O2/c18-13(19)7-1-3-9-11(5-7)24-15(22-9)17(26,27)16-23-10-4-2-8(14(20)21)6-12(10)25-16/h1-6,26-27H,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)/p+2
Definition date:1999-07-28
Last modified:2011-06-04
Identifier:[(dihydroxymethanediyl)bis(1H-benzimidazole-2,6-diyl)]bis(aminomethaniminium)
1C2
1C2
Name:3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
Formula:C16 H23 N3 O6 S
SMILES:O=S(=O)(O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C(C(=O)NC)C2
InChi:InChI=1S/C16H23N3O6S/c1-16(2,3)25-15(21)19-9-11-7-12(18-26(22,23)24)6-5-10(11)8-13(19)14(20)17-4/h5-7,13,18H,8-9H2,1-4H3,(H,17,20)(H,22,23,24)/t13-/m0/s1
Definition date:2005-12-02
Last modified:2011-06-04
Identifier:[(3S)-2-(tert-butoxycarbonyl)-3-(methylcarbamoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfamic acid
BAK
BAK
Name:BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE
Formula:C17 H16 N8 O
SMILES:O=C(c2nc1ccc(cc1n2)C(=[NH2+])N)c3nc4ccc(C(=[NH2+])N)cc4n3
InChi:InChI=1S/C17H14N8O/c18-14(19)7-1-3-9-11(5-7)24-16(22-9)13(26)17-23-10-4-2-8(15(20)21)6-12(10)25-17/h1-6H,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)/p+2
Definition date:1999-07-28
Last modified:2011-06-04
Identifier:[carbonylbis(1H-benzimidazole-2,6-diyl)]bis(aminomethaniminium)
BAN
BAN
Name:HONH-BENZYLMALONYL-L-ALANYLGLYCINE-P-NITROANILIDE
Formula:C21 H23 N5 O7
SMILES:O=C(Nc1ccc(cc1)[N+]([O-])=O)CNC(=O)C(NC(=O)C(C(=O)NO)Cc2ccccc2)C
InChi:InChI=1S/C21H23N5O7/c1-13(23-20(29)17(21(30)25-31)11-14-5-3-2-4-6-14)19(28)22-12-18(27)24-15-7-9-16(10-8-15)26(32)33/h2-10,13,17,31H,11-12H2,1H3,(H,22,28)(H,23,29)(H,24,27)(H,25,30)/t13-,17-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:N-[(2S)-2-benzyl-3-(hydroxyamino)-3-oxopropanoyl]-L-alanyl-N-(4-nitrophenyl)glycinamide
BAO
BAO
Name:BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE
Formula:C17 H14 N8 O
SMILES:O=C(c2nc1ccc(cc1n2)C(=[N@H])N)c3nc4ccc(C(=[N@H])N)cc4n3
InChi:InChI=1S/C17H14N8O/c18-14(19)7-1-3-9-11(5-7)24-16(22-9)13(26)17-23-10-4-2-8(15(20)21)6-12(10)25-17/h1-6H,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:2,2'-carbonylbis(1H-benzimidazole-6-carboximidamide)
BAP
BAP
Name:1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE
Formula:C20 H16 O3
SMILES:OC5c2c(c1ccc4c3c1c(c2)ccc3ccc4)CC(O)C5O
InChi:InChI=1S/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19-,20-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(7R,8R,9R)-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8,9-triol
1CB
1CB
Name:CYCLOPENTANAMINE
Formula:C5 H11 N
SMILES:NC1CCCC1
InChi:InChI=1S/C5H11N/c6-5-3-1-2-4-5/h5H,1-4,6H2
Definition date:2005-09-06
Last modified:2011-06-04
Identifier:cyclopentanamine
BAU
BAU
Name:1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE
Formula:C14 H16 N2 O4
SMILES:O=C1C(=CN(C(=O)N1)COCCO)Cc2ccccc2
InChi:InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19)
Definition date:2004-08-09
Last modified:2011-06-04
Identifier:5-benzyl-1-[(2-hydroxyethoxy)methyl]pyrimidine-2,4(1H,3H)-dione
1CI
1CI
Name:1-(4-CHLOROPHENYL)-1H-IMIDAZOLE
Formula:C9 H7 Cl N2
SMILES:Clc1ccc(cc1)n2ccnc2
InChi:InChI=1S/C9H7ClN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H
Definition date:2007-06-15
Last modified:2011-06-04
Identifier:1-(4-chlorophenyl)-1H-imidazole
BB3
BB3
Name:3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID DIMETHYLAMIDE
Formula:C19 H17 Br2 N O5 S
SMILES:Brc1cc(cc(Br)c1O)C(=O)c2c3ccc(cc3oc2CC)S(=O)(=O)N(C)C
InChi:InChI=1S/C19H17Br2NO5S/c1-4-15-17(18(23)10-7-13(20)19(24)14(21)8-10)12-6-5-11(9-16(12)27-15)28(25,26)22(2)3/h5-9,24H,4H2,1-3H3
Definition date:2004-04-29
Last modified:2011-06-04
Identifier:3-[(3,5-dibromo-4-hydroxyphenyl)carbonyl]-2-ethyl-N,N-dimethyl-1-benzofuran-6-sulfonamide
BB4
BB4
Name:2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide
Formula:C10 H9 Br N2 O2
SMILES:Brc1cc2c(cc1)ncc2CC(=O)NO
InChi:InChI=1S/C10H9BrN2O2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(14)13-15/h1-2,4-5,12,15H,3H2,(H,13,14)
Definition date:2010-08-09
Last modified:2011-06-04
Identifier:2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide
1CN
1CN
Name:5-{[(4-AMINO-3-CHLORO-5-FLUOROPHENYL)SULFONYL]AMINO}-1,3,4-THIADIAZOLE-2-SULFONAMIDE
Formula:C8 H7 Cl F N5 O4 S3
SMILES:O=S(=O)(c1nnc(s1)NS(=O)(=O)c2cc(F)c(N)c(Cl)c2)N
InChi:InChI=1S/C8H7ClFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
Definition date:2006-07-19
Last modified:2011-06-04
Identifier:5-{[(4-amino-3-chloro-5-fluorophenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide
BBB
BBB
Name:1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)-6-HYDROXYPYRIMIDINE-2,4(1H,3H)-DIONE
Formula:C21 H22 N2 O6
SMILES:O=C1C(=C(O)N(C(=O)N1)COCCO)Cc3cccc(OCc2ccccc2)c3
InChi:InChI=1S/C21H22N2O6/c24-9-10-28-14-23-20(26)18(19(25)22-21(23)27)12-16-7-4-8-17(11-16)29-13-15-5-2-1-3-6-15/h1-8,11,24,26H,9-10,12-14H2,(H,22,25,27)
Definition date:2004-08-10
Last modified:2011-06-04
Identifier:5-[3-(benzyloxy)benzyl]-6-hydroxy-1-[(2-hydroxyethoxy)methyl]pyrimidine-2,4(1H,3H)-dione
1CX
1CX
Name:(5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide
Formula:C15 H12 F3 I N2 O3
SMILES:Ic2ccc(N=C1C(=CC=C(F)C1F)C(=O)NOCCO)c(F)c2
InChi:InChI=1S/C15H12F3IN2O3/c16-10-3-2-9(15(23)21-24-6-5-22)14(13(10)18)20-12-4-1-8(19)7-11(12)17/h1-4,7,13,22H,5-6H2,(H,21,23)/b20-14-/t13-/m1/s1
Definition date:2008-07-28
Last modified:2011-06-04
Identifier:(5S,6Z)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide

223532

數據於2024-08-07公開中

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