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NVP
NVP
Name:11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE
Formula:C15 H14 N4 O
SMILES:O=C2Nc1c(ccnc1N(c3ncccc23)C4CC4)C
InChi:InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
Synonyms:NON-NUCLEOSIDE RT INHIBITOR NEVIRAPINE
Definition date:2000-08-15
Last modified:2020-06-17
Identifier:11-cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
NWD
NWD
Name:3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine
Formula:C7 H8 N4 O6
SMILES:O=C(O)C(N)CN1C=C(C(=O)NC1=O)[N+]([O-])=O
InChi:InChI=1S/C7H8N4O6/c8-3(6(13)14)1-10-2-4(11(16)17)5(12)9-7(10)15/h2-3H,1,8H2,(H,13,14)(H,9,12,15)/t3-/m0/s1
Synonyms:nitrowillardiine
Definition date:2011-05-05
Last modified:2020-06-17
Identifier:3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine
NWH
NWH
Name:N-[(2S)-heptan-2-yl]formamide
Formula:C8 H17 N O
SMILES:CCCCCC(C)NC=O
InChi:InChI=1S/C8H17NO/c1-3-4-5-6-8(2)9-7-10/h7-8H,3-6H2,1-2H3,(H,9,10)/t8-/m0/s1
Synonyms:(S)-N-1-methylhexylformamide
Definition date:2017-05-02
Last modified:2020-06-17
Release date:2017-05-10
Identifier:N-[(2S)-heptan-2-yl]formamide
NZA
NZA
Name:5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID
Formula:C22 H15 Cl2 N O2 S
SMILES:Clc1ccc(cc1)Cn4c2ccc(Cl)cc2c(Sc3ccccc3)c4C(=O)O
InChi:InChI=1S/C22H15Cl2NO2S/c23-15-8-6-14(7-9-15)13-25-19-11-10-16(24)12-18(19)21(20(25)22(26)27)28-17-4-2-1-3-5-17/h1-12H,13H2,(H,26,27)
Synonyms:NTZDPA
Definition date:2007-06-25
Last modified:2020-06-17
Identifier:5-chloro-1-(4-chlorobenzyl)-3-(phenylsulfanyl)-1H-indole-2-carboxylic acid
388
388
Name:(2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID
Formula:C16 H12 Br Cl F N O4
SMILES:Brc1cc(F)c(cc1)CNC(=O)c2ccc(Cl)cc2OCC(=O)O
InChi:InChI=1S/C16H12BrClFNO4/c17-10-2-1-9(13(19)5-10)7-20-16(23)12-4-3-11(18)6-14(12)24-8-15(21)22/h1-6H,7-8H2,(H,20,23)(H,21,22)
Synonyms:IDD388
Definition date:2006-10-05
Last modified:2020-06-17
Identifier:{2-[(4-bromo-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
NZO
NZO
Name:nocodazole
Formula:C14 H11 N3 O3 S
SMILES:O=C(c2cc1c(nc(NC(=O)OC)n1)cc2)c3sccc3
InChi:InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)
Synonyms:methyl [6-(thiophen-2-ylcarbonyl)-1H-benzimidazol-2-yl]carbamate
Definition date:2008-09-04
Last modified:2020-06-17
Identifier:methyl [6-(thiophen-2-ylcarbonyl)-1H-benzimidazol-2-yl]carbamate
38O
38O
Name:4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one
Formula:C21 H21 F N6 O
SMILES:Fc1cccc2c1C(N)=C(C(=O)N2)c4nc5cc(N3CCN(C)CC3)ccc5n4
InChi:InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)
Synonyms:Dovitinib
Definition date:2014-07-09
Last modified:2020-06-17
Release date:2014-09-24
Identifier:4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one
38S
38S
Name:1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
Formula:C10 H14 N2 O4
SMILES:O=C1NC(=O)N(C=C1C)C2OC(CC2)CO
InChi:InChI=1S/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
Synonyms:3'-deoxy thymidine
Definition date:2014-07-08
Last modified:2020-06-17
Release date:2014-07-23
Identifier:1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione
O01
O01
Name:[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]methanamine
Formula:C9 H12 N4 S
SMILES:n2c(sc(c1cc(CN)nn1)c2C)C
InChi:InChI=1S/C9H12N4S/c1-5-9(14-6(2)11-5)8-3-7(4-10)12-13-8/h3H,4,10H2,1-2H3,(H,12,13)
Synonyms:1-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methanamine
Definition date:2016-08-25
Last modified:2020-06-17
Release date:2016-09-07
Identifier:1-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methanamine
393
393
Name:(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID
Formula:C16 H13 Cl N2 O6
SMILES:O=C(c1c(OCC(=O)O)cc(Cl)cc1)NCc2cccc([N+]([O-])=O)c2
InChi:InChI=1S/C16H13ClN2O6/c17-11-4-5-13(14(7-11)25-9-15(20)21)16(22)18-8-10-2-1-3-12(6-10)19(23)24/h1-7H,8-9H2,(H,18,22)(H,20,21)
Synonyms:IDD393
Definition date:2006-10-05
Last modified:2020-06-17
Identifier:{5-chloro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid
394
394
Name:R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
Formula:C23 H26 F N O4
SMILES:O=C(O)c1ccc(c(F)c1)NC(=O)C(O)c2ccc3c(c2)C(CCC3(C)C)(C)C
InChi:InChI=1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t19-/m1/s1
Synonyms:BMS270394
Definition date:2000-05-08
Last modified:2020-06-17
Identifier:3-fluoro-4-{[(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino}benzoic acid
39A
39A
Name:6-AMINO-3,9-DIMETHYL-9H-PURIN-3-IUM
Formula:C7 H10 N5
SMILES:n2c[n+](c1c(ncn1C)c2N)C
InChi:InChI=1S/C7H9N5/c1-11-3-9-5-6(8)10-4-12(2)7(5)11/h3-4,8H,1-2H3/p+1
Synonyms:3,9-DIMETHYLADENINE
Definition date:2003-07-07
Last modified:2020-06-17
Identifier:6-amino-3,9-dimethyl-9H-purin-3-ium
O16
O16
Name:3-(1,3-BENZOTHIAZOL-2-YL)-2-(1,4-DIOXO-1,2,3,4-TETRAHYDROPHTHALAZIN-6-YL)-5-[(E)-2-PHENYLVINYL]-3H-TETRAAZOL-2-IUM
Formula:C24 H16 N7 O2 S
SMILES:O=C2c1cc(ccc1C(=O)NN2)[n+]5nc(nn5c3nc4ccccc4s3)C=Cc6ccccc6
InChi:InChI=1S/C24H15N7O2S/c32-22-17-12-11-16(14-18(17)23(33)27-26-22)30-28-21(13-10-15-6-2-1-3-7-15)29-31(30)24-25-19-8-4-5-9-20(19)34-24/h1-14H,(H,28,29)/p+1/b13-10+
Synonyms:2-(2F-BENZOTHIAZOLYL)-5-STYRYL-3-(4F-PHTHALHYDRAZIDYL) TETRAZOLIUM CHLORIDE
Definition date:2003-11-13
Last modified:2020-06-17
Identifier:2-(1,3-benzothiazol-2-yl)-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-5-[(E)-2-phenylethenyl]-2H-tetrazol-3-ium
3AA
3AA
Name:3-AMINOPYRIDINE-ADENINE DINUCLEOTIDE PHOSPHATE
Formula:C20 H29 N7 O16 P3
SMILES:Nc1ccc[n+](c1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:InChI=1S/C20H28N7O16P3/c21-9-2-1-3-26(4-9)19-15(30)13(28)10(40-19)5-38-45(34,35)43-46(36,37)39-6-11-14(29)16(42-44(31,32)33)20(41-11)27-8-25-12-17(22)23-7-24-18(12)27/h1-4,7-8,10-11,13-16,19-20,28-30H,5-6,21H2,(H5-,22,23,24,31,32,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1
Synonyms:ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE) 2'-(DIHYDROGEN PHOSPHATE)ESTER WITH 3-(AMINO)-1-BETA-D-RIBOFURANOSYLPYRIDINIUM INNER SALT
Definition date:2000-06-27
Last modified:2020-06-17
Identifier:[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(3-aminopyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
3AG
3AG
Name:2-[METHYL-(4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE
Formula:C9 H18 N O7 P2
SMILES:CN(CCO[P]([O-])(=O)O[P]([O-])([O-])=O)CCC=C(C)C
InChi:InChI=1S/C9H21NO7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5H,4,6-8H2,1-3H3,(H,14,15)(H2,11,12,13)/p-3
Synonyms:3-AZA-2,3-DIHYDROGERANYL DIPHOSPHATE
Definition date:2002-11-06
Last modified:2020-06-17
Identifier:[2-(methyl-(4-methylpent-3-enyl)amino)ethoxy-oxido-phosphoryl] phosphate
3AM
3AM
Name:[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
Formula:C10 H14 N5 O7 P
SMILES:O=P(O)(O)OC3C(OC(n2cnc1c(ncnc12)N)C3O)CO
InChi:InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
Synonyms:3'-AMP
Definition date:2008-01-23
Last modified:2020-06-17
Identifier:3'-adenylic acid
3AW
3AW
Name:6-METHYL-1,3,5-TRIAZINE-2,4-DIAMINE
Formula:C4 H7 N5
SMILES:n1c(nc(nc1C)N)N
InChi:InChI=1S/C4H7N5/c1-2-7-3(5)9-4(6)8-2/h1H3,(H4,5,6,7,8,9)
Synonyms:ACETOGUANAMINE
Definition date:2009-11-13
Last modified:2020-06-17
Identifier:6-methyl-1,3,5-triazine-2,4-diamine
3AX
3AX
Name:1H-pyrazol-5-amine
Formula:C3 H5 N3
SMILES:n1ccc(N)n1
InChi:InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)
Synonyms:3-Aminopyrazole
Definition date:2013-10-23
Last modified:2020-06-17
Release date:2013-11-06
Identifier:1H-pyrazol-5-amine
3B5
3B5
Name:AIK-18/51
Formula:C30 H38 N9 O4 S
SMILES:O=C(Nc1nc(C(=O)NCCC[NH+](C)C)c(s1)C(C)C)c4cc(NC(=O)c3cc(NC(=O)c2cccnc2)cn3C)cn4C
InChi:InChI=1S/C30H37N9O4S/c1-18(2)25-24(29(43)32-11-8-12-37(3)4)35-30(44-25)36-28(42)23-14-21(17-39(23)6)34-27(41)22-13-20(16-38(22)5)33-26(40)19-9-7-10-31-15-19/h7,9-10,13-18H,8,11-12H2,1-6H3,(H,32,43)(H,33,40)(H,34,41)(H,35,36,42)/p+1
Synonyms:N,N-dimethyl-3-[({2-[({1-methyl-4-[({1-methyl-4-[(pyridin-3-ylcarbonyl)amino]-1H-pyrrol-2-yl}carbonyl)amino]-1H-pyrrol- 2-yl}carbonyl)amino]-5-(propan-2-yl)-1,3-thiazol-4-yl}carbonyl)amino]propan-1-aminium
Definition date:2014-07-17
Last modified:2020-06-17
Release date:2014-07-30
Identifier:N,N-dimethyl-3-[({2-[({1-methyl-4-[({1-methyl-4-[(pyridin-3-ylcarbonyl)amino]-1H-pyrrol-2-yl}carbonyl)amino]-1H-pyrrol-2-yl}carbonyl)amino]-5-(propan-2-yl)-1,3-thiazol-4-yl}carbonyl)amino]propan-1-aminium
3BK
3BK
Name:(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Formula:C17 H18 Cl2 N6 O4
SMILES:Clc1ccc(cc1Cl)CNc3nc2c(ncnc2n3C4OC(C(O)C4O)CO)N
InChi:InChI=1S/C17H18Cl2N6O4/c18-8-2-1-7(3-9(8)19)4-21-17-24-11-14(20)22-6-23-15(11)25(17)16-13(28)12(27)10(5-26)29-16/h1-3,6,10,12-13,16,26-28H,4-5H2,(H,21,24)(H2,20,22,23)/t10-,12-,13-,16-/m1/s1
Synonyms:8-[(3,4-dichlorobenzyl)amino]adenosine
Definition date:2009-01-28
Last modified:2020-06-17
Identifier:8-[(3,4-dichlorobenzyl)amino]adenosine
3BS
3BS
Name:3-chloro-4-{[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzenesulfonamide
Formula:C16 H25 Cl N4 O3 S2
SMILES:O=S(=O)(N)c1ccc(c(Cl)c1)NC(=S)NC2CC(N(O)C(C)(C)C2)(C)C
InChi:InChI=1S/C16H25ClN4O3S2/c1-15(2)8-10(9-16(3,4)21(15)22)19-14(25)20-13-6-5-11(7-12(13)17)26(18,23)24/h5-7,10,22H,8-9H2,1-4H3,(H2,18,23,24)(H2,19,20,25)
Synonyms:(4-{[(2-chloro-4-sulfamoylphenyl)carbamothioyl]amino}-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl
Definition date:2008-09-12
Last modified:2020-06-17
Identifier:3-chloro-4-{[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzenesulfonamide
3BT
3BT
Name:2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
Formula:C12 H18 N4 S2
SMILES:S(C(=[N@H])N)CCc1cccc(c1)CCSC(=[N@H])N
InChi:InChI=1S/C12H18N4S2/c13-11(14)17-6-4-9-2-1-3-10(8-9)5-7-18-12(15)16/h1-3,8H,4-7H2,(H3,13,14)(H3,15,16)
Synonyms:S,S'-(1,3-PHENYLENE-BIS(1,2-ETHANEDIYL))BIS-ISOTHIOUREA
Definition date:1999-09-23
Last modified:2020-06-17
Identifier:benzene-1,3-diyldiethane-2,1-diyl bis(imidothiocarbamate)
O33
O33
Name:(4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl- L-cysteinyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
Formula:C40 H45 N5 O7 S2
SMILES:O=C(NC2c1ccccc1CC2O)C6N(C(=O)C(O)C(NC(=O)C(NC(=O)COc4c3ccncc3ccc4)CSC)Cc5ccccc5)CSC6(C)C
InChi:InChI=1S/C40H45N5O7S2/c1-40(2)36(38(50)44-34-28-14-8-7-12-25(28)19-31(34)46)45(23-54-40)39(51)35(48)29(18-24-10-5-4-6-11-24)43-37(49)30(22-53-3)42-33(47)21-52-32-15-9-13-26-20-41-17-16-27(26)32/h4-17,20,29-31,34-36,46,48H,18-19,21-23H2,1-3H3,(H,42,47)(H,43,49)(H,44,50)/t29-,30-,31+,34-,35-,36+/m0/s1
Synonyms:KNI-10033
Definition date:2007-04-18
Last modified:2020-06-17
Identifier:(4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
O34
O34
Name:yersiniabactin
Formula:C21 H27 N3 O4 S3
SMILES:N1=C(SCC1C2NC(CS2)C(O)C(C3=NC(CS3)(C(O)=O)C)(C)C)c4c(O)cccc4
InChi:InChI=1S/C21H27N3O4S3/c1-20(2,18-24-21(3,10-31-18)19(27)28)15(26)12-8-30-17(22-12)13-9-29-16(23-13)11-6-4-5-7-14(11)25/h4-7,12-13,15,17,22,25-26H,8-10H2,1-3H3,(H,27,28)/t12-,13+,15+,17+,21+/m0/s1
Synonyms:(4S)-2-[(1S)-1-hydroxy-1-{(2R,4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl}-2-met hylpropan-2-yl]-4-methyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Definition date:2019-06-05
Last modified:2020-06-17
Release date:2020-03-04
Identifier:(4S)-2-[(1S)-1-hydroxy-1-{(2R,4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl}-2-methylpropan-2-yl]-4-methyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
3C0
3C0
Name:N-methyl scopolamine
Formula:C18 H24 N O4
SMILES:O=C(OC1CC2[N+](C(C1)C3OC23)(C)C)C(c4ccccc4)CO
InChi:InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1
Synonyms:(1R,2R,4S,5S,7s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane
Definition date:2014-07-23
Last modified:2020-06-17
Release date:2014-11-26
Identifier:(1R,2R,4S,5S,7s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane

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數據於2025-11-26公開中

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