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RNO
RNO
Name:(R)-PARA-NITROSTYRENE OXIDE
Formula:C8 H7 N O3
SMILES:[O-][N+](=O)c1ccc(cc1)C2OC2
InChi:InChI=1S/C8H7NO3/c10-9(11)7-3-1-6(2-4-7)8-5-12-8/h1-4,8H,5H2/t8-/m0/s1
Synonyms:(2R)-2-(4-NITROPHENYL)OXIRANE
Definition date:2005-05-20
Last modified:2020-06-17
Identifier:(2R)-2-(4-nitrophenyl)oxirane
SH4
SH4
Name:(1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATE
Formula:C17 H19 N O4 P
SMILES:O=C(Nc1ccc(cc1)CP([O-])(=O)OC(c2ccccc2)C)C
InChi:InChI=1S/C17H20NO4P/c1-13(16-6-4-3-5-7-16)22-23(20,21)12-15-8-10-17(11-9-15)18-14(2)19/h3-11,13H,12H2,1-2H3,(H,18,19)(H,20,21)/p-1/t13-/m0/s1
Synonyms:(1S)-1PHENYLETHYL [4-(ACETYLAMINO) BENZYL] PHOSPHATE
Definition date:2003-09-29
Last modified:2020-06-17
Identifier:(1S)-1-phenylethyl [4-(acetylamino)benzyl]phosphonate
RNR
RNR
Name:3,6-bis(3-(3'-(R)-fluoropyrrolindino)propionamido)acridine
Formula:C27 H31 F2 N5 O2
SMILES:O=C(Nc4cc3nc2cc(NC(=O)CCN1CCC(F)C1)ccc2cc3cc4)CCN5CCC(F)C5
InChi:InChI=1S/C27H31F2N5O2/c28-20-5-9-33(16-20)11-7-26(35)30-22-3-1-18-13-19-2-4-23(15-25(19)32-24(18)14-22)31-27(36)8-12-34-10-6-21(29)17-34/h1-4,13-15,20-21H,5-12,16-17H2,(H,30,35)(H,31,36)/t20-,21-/m1/s1
Synonyms:N,N'-acridine-3,6-diylbis{3-[(3R)-3-fluoropyrrolidin-1-yl]propanamide}
Definition date:2010-07-27
Last modified:2020-06-17
Identifier:N,N'-acridine-3,6-diylbis{3-[(3R)-3-fluoropyrrolidin-1-yl]propanamide}
MRN
MRN
Name:2-methyl-N-[3-(1-methylethoxy)phenyl]benzamide
Formula:C17 H19 N O2
SMILES:CC(C)Oc1cccc(NC(=O)c2ccccc2C)c1
InChi:InChI=1S/C17H19NO2/c1-12(2)20-15-9-6-8-14(11-15)18-17(19)16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H,18,19)
Synonyms:2-Methyl-N-(3-isopropoxy-phenyl)-benzamide
Definition date:2010-02-15
Last modified:2020-06-17
Identifier:2-methyl-N-(3-propan-2-yloxyphenyl)benzamide
TCK
TCK
Name:N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide
Formula:C14 H21 Cl N2 O3 S
SMILES:O=S(=O)(NC(C(=O)CCl)CCCCN)c1ccc(cc1)C
InChi:InChI=1S/C14H21ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13,17H,2-4,9-10,16H2,1H3/t13-/m0/s1
Synonyms:Tos-Lys-CH2Cl
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:N-[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]-4-methylbenzenesulfonamide
P99
P99
Name:2-[2,6-difluoro-4-({2-[(phenylsulfonyl)amino]ethyl}sulfanyl)phenoxy]acetamide
Formula:C16 H16 F2 N2 O4 S2
SMILES:O=S(=O)(c1ccccc1)NCCSc2cc(F)c(OCC(=O)N)c(F)c2
InChi:InChI=1S/C16H16F2N2O4S2/c17-13-8-11(9-14(18)16(13)24-10-15(19)21)25-7-6-20-26(22,23)12-4-2-1-3-5-12/h1-5,8-9,20H,6-7,10H2,(H2,19,21)
Synonyms:2-[4-[2-(benzenesulfonamido)ethylsulfanyl]-2,6-difluorophenoxy]acetamide
Definition date:2010-03-15
Last modified:2020-06-17
Identifier:2-[2,6-difluoro-4-({2-[(phenylsulfonyl)amino]ethyl}sulfanyl)phenoxy]acetamide
PNV
PNV
Name:(2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-(2-PHENOXYACETAMIDO)-4-THIA-1- AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID
Formula:C16 H18 N2 O5 S
SMILES:c1c(cccc1)OCC(NC2C(N3C2SC(C)(C)C3C(=O)O)=O)=O
InChi:InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1
Synonyms:PENICILLIN V
Definition date:2005-11-14
Last modified:2020-06-17
Identifier:(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
RO2
RO2
Name:3-[5-[5-(4-METHYL-PIPERAZIN-1-YL)-1H-IMIDAZO[4,5-B]PYRIDIN-2-YL]-BENZIMIDAZOL-2-YL]-PHENOL
Formula:C24 H23 N7 O
SMILES:n2c(N1CCN(C)CC1)ccc3nc(nc23)c6ccc5nc(c4cccc(O)c4)nc5c6
InChi:InChI=1S/C24H23N7O/c1-30-9-11-31(12-10-30)21-8-7-19-24(28-21)29-23(26-19)16-5-6-18-20(14-16)27-22(25-18)15-3-2-4-17(32)13-15/h2-8,13-14,32H,9-12H2,1H3,(H,25,27)(H,26,28,29)
Synonyms:META-OH(N) HOECHST
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:3-{6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-benzimidazol-2-yl}phenol
TPF
TPF
Name:2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL
Formula:C13 H12 F2 N6 O
SMILES:Fc1ccc(c(F)c1)C(O)(Cn2ncnc2)Cn3ncnc3
InChi:InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
Synonyms:FLUCONAZOLE
Definition date:2000-11-03
Last modified:2020-06-17
Identifier:2-(2,4-difluorophenyl)-1,3-di-1H-1,2,4-triazol-1-ylpropan-2-ol
LY2
LY2
Name:2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE
Formula:C19 H17 N O3
SMILES:O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4
InChi:InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
Synonyms:2-(4-MORPHOLINYL)-8-PHENYL-4H-1-BENZOPYRAN-4-ONE
Definition date:2000-09-11
Last modified:2020-06-17
Identifier:2-morpholin-4-yl-8-phenyl-4H-chromen-4-one
KSG
KSG
Name:(1S,2R,3S,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL 2-AMINO-4-{[CARBOXY(IMINO)METHYL]AMINO}-2,3,4,6-TETRADEOXY-ALPHA-D-ARABINO-HEXOPYRANOSIDE
Formula:C14 H25 N3 O9
SMILES:O=C(O)C(=[N@H])NC2C(OC(OC1C(O)C(O)C(O)C(O)C1O)C(N)C2)C
InChi:InChI=1S/C14H25N3O9/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24)/t3-,4+,5+,6-,7+,8+,9-,10+,11+,14-/m1/s1
Synonyms:KASUGAMYCIN
Definition date:2006-08-02
Last modified:2020-06-17
Identifier:(1S,2R,3S,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-4-{[(Z)-carboxy(imino)methyl]amino}-2,3,4,6-tetradeoxy-alpha-D-arabino-hexopyranoside
RO8
RO8
Name:N-{[(2Z)-5-bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide
Formula:C10 H7 Br Cl N3 O3 S2
SMILES:BrC=2S/C(=NC(=O)NS(=O)(=O)c1cccc(Cl)c1)NC=2
InChi:InChI=1S/C10H7BrClN3O3S2/c11-8-5-13-10(19-8)14-9(16)15-20(17,18)7-3-1-2-6(12)4-7/h1-5H,(H2,13,14,15,16)
Synonyms:RO5062408
Definition date:2011-01-17
Last modified:2020-06-17
Identifier:N-{[(2Z)-5-bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide
ROA
ROA
Name:(2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid
Formula:C18 H16 O8
SMILES:O=C(O)C(OC(=O)C=Cc1ccc(O)c(O)c1)Cc2cc(O)c(O)cc2
InChi:InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
Synonyms:Rosmarinic acid
Definition date:2011-09-02
Last modified:2020-06-17
Identifier:(2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid
LY5
LY5
Name:(3S,4aR,6S,8aR)-6-{[(2S)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-3-carboxylic acid
Formula:C16 H24 F2 N2 O4
SMILES:FC1(CN(C(C1)C(O)=O)CC2CC3C(CC2)CNC(C(O)=O)C3)F
InChi:InChI=1S/C16H24F2N2O4/c17-16(18)5-13(15(23)24)20(8-16)7-9-1-2-10-6-19-12(14(21)22)4-11(10)3-9/h9-13,19H,1-8H2,(H,21,22)(H,23,24)/t9-,10-,11+,12-,13-/m0/s1
Synonyms:LY466195
Definition date:2007-09-11
Last modified:2020-06-17
Identifier:(3S,4aR,6S,8aR)-6-{[(2S)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-3-carboxylic acid
OUL
OUL
Name:4-(4-aminocarbonylphenoxy)benzamide
Formula:C14 H12 N2 O3
SMILES:NC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1
InChi:InChI=1S/C14H12N2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)
Synonyms:OUL35
Definition date:2017-09-25
Last modified:2020-06-17
Release date:2018-07-25
Identifier:4-(4-aminocarbonylphenoxy)benzamide
VD1
VD1
Name:5-{2-[1-(1-METHYL-PROPYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-CYCLOHEXANE-1,3-DIOL
Formula:C23 H36 O2
SMILES:OC3C(=C)C(O)CC(=CC=C1/CCCC2(C1CCC2C(C)CC)C)C3
InChi:InChI=1S/C23H36O2/c1-5-15(2)19-10-11-20-18(7-6-12-23(19,20)4)9-8-17-13-21(24)16(3)22(25)14-17/h8-9,15,19-22,24-25H,3,5-7,10-14H2,1-2,4H3/b18-9+/t15-,19+,20-,21+,22+,23+/m0/s1
Synonyms:1-ALPHA-HYDROXY-2-METHYLENE-19-NOR-(20S)-BISHOMOPREGNACALCIFEROL
Definition date:2003-12-17
Last modified:2020-06-17
Identifier:(1R,3R,7E,17beta)-2-methylidene-17-[(1S)-1-methylpropyl]-9,10-secoestra-5,7-diene-1,3-diol
HDV
HDV
Name:9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-me thyl-9H-purin-6-amine
Formula:C11 H17 F N5 O12 P3
SMILES:O=P(OCC1OC(C(C1O)F)n3c2c(c(nc(n2)C)N)nc3)(O)OP(OP(O)(=O)O)(O)=O
InChi:InChI=1S/C11H17FN5O12P3/c1-4-15-9(13)7-10(16-4)17(3-14-7)11-6(12)8(18)5(27-11)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3,5-6,8,11,18H,2H2,1H3,(H,22,23)(H,24,25)(H2,13,15,16)(H2,19,20,21)/t5-,6+,8-,11-/m1/s1
Synonyms:Clofarabine-TRIPHOSPHATE
Definition date:2018-06-27
Last modified:2020-06-17
Release date:2018-10-10
Identifier:9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-methyl-9H-purin-6-amine
VD2
VD2
Name:5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYL-CYCLOHEXANE-1,3-DIOL
Formula:C27 H46 O3
SMILES:OC3CC(=C/C=C1CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC(O)C3C
InChi:InChI=1S/C27H46O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18-19,22-25,28-30H,6-9,12-17H2,1-5H3/b20-10-,21-11+/t18-,19+,22-,23+,24-,25-,27-/m1/s1
Synonyms:2-ALPHA-METHYL-19-NOR-1,25-DIHYDROXYVITAMIN D3
Definition date:2003-12-17
Last modified:2020-06-17
Identifier:(1R,2R,3R,5E,7E,17beta)-17-[(1R)-5-hydroxy-1,5-dimethylhexyl]-2-methyl-9,10-secoestra-5,7-diene-1,3-diol
MS4
MS4
Name:3-CHLORO-2'-CYANO-5'-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BIPHENYL-4-YL SULFAMATE
Formula:C16 H12 Cl N5 O3 S
SMILES:O=S(=O)(Oc3ccc(c1cc(ccc1C#N)Cn2ncnc2)cc3Cl)N
InChi:InChI=1S/C16H12ClN5O3S/c17-15-6-12(3-4-16(15)25-26(19,23)24)14-5-11(1-2-13(14)7-18)8-22-10-20-9-21-22/h1-6,9-10H,8H2,(H2,19,23,24)
Synonyms:5'-((1H-1,2,4-triazol-1-yl)methyl)-3-chloro-2'-cyanobiphenyl-4-yl sulfamate
Definition date:2009-03-19
Last modified:2020-06-17
Identifier:3-chloro-2'-cyano-5'-(1H-1,2,4-triazol-1-ylmethyl)biphenyl-4-yl sulfamate
0FU
0FU
Name:2,5,6-triaminopyrimidin-4-ol
Formula:C4 H7 N5 O
SMILES:n1c(N)c(N)c(O)nc1N
InChi:InChI=1S/C4H7N5O/c5-1-2(6)8-4(7)9-3(1)10/h5H2,(H5,6,7,8,9,10)
Synonyms:4-hydroxy-2,5,6-triaminopyrimidine
Definition date:2012-01-04
Last modified:2020-06-17
Identifier:2,5,6-triaminopyrimidin-4-ol
P9N
P9N
Name:Pregnanolone
Formula:C21 H34 O2
SMILES:CC(=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
InChi:InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1
Synonyms:(3alpha,5beta)-3-Hydroxypregnan-20-one
Definition date:2017-10-22
Last modified:2020-06-17
Release date:2017-11-01
Identifier:1-[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]ethanone
0FV
0FV
Name:(2Z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate
Formula:C10 H19 F O7 P2
SMILES:O=P(O)(O)OP(=O)(OCC(F)=C(/C)CCC=C(/C)C)O
InChi:InChI=1S/C10H19FO7P2/c1-8(2)5-4-6-9(3)10(11)7-17-20(15,16)18-19(12,13)14/h5H,4,6-7H2,1-3H3,(H,15,16)(H2,12,13,14)/b10-9-
Synonyms:2-fluorogeranyl diphosphate
Definition date:2012-01-04
Last modified:2020-06-17
Identifier:(2Z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate
LYB
LYB
Name:2-{4-[4-(4-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAMIN O)-4-CARBOXY-BUTYRYLAMINO}-PENTANEDIOIC ACID
Formula:C35 H42 N8 O15
SMILES:O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)CCc2cnc3N=C(NC(=O)c23)N)CCC(=O)O
InChi:InChI=1S/C35H42N8O15/c36-35-42-28-27(30(50)43-35)18(15-37-28)6-3-16-1-4-17(5-2-16)29(49)41-22(34(57)58)9-13-25(46)39-20(32(53)54)7-11-23(44)38-19(31(51)52)8-12-24(45)40-21(33(55)56)10-14-26(47)48/h1-2,4-5,15,19-22H,3,6-14H2,(H,38,44)(H,39,46)(H,40,45)(H,41,49)(H,47,48)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H4,36,37,42,43,50)/t19-,20-,21?,22-/m0/s1
Synonyms:LY231514 TETRA GLU
Definition date:2001-08-27
Last modified:2020-06-17
Identifier:N-({4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)-L-gamma-glutamyl-L-gamma-glutamyl-L-gamma-glutamylglutamic acid
QHM
QHM
Name:hycanthone
Formula:C20 H24 N2 O2 S
SMILES:N(CCN(CC)CC)c2c3C(c1ccccc1Sc3c(cc2)CO)=O
InChi:InChI=1S/C20H24N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,21,23H,3-4,11-13H2,1-2H3
Synonyms:1-{[2-(diethylamino)ethyl]amino}-4-(hydroxymethyl)-9H-thioxanthen-9-one
Definition date:2019-11-04
Last modified:2020-06-17
Release date:2020-02-19
Identifier:1-{[2-(diethylamino)ethyl]amino}-4-(hydroxymethyl)-9H-thioxanthen-9-one
ROL
ROL
Name:ROLIPRAM
Formula:C16 H21 N O3
SMILES:O=C3NCC(c2cc(OC1CCCC1)c(OC)cc2)C3
InChi:InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m0/s1
Synonyms:(4R)-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]-2-PYRROLIDINONE
Definition date:2001-08-01
Last modified:2020-06-17
Identifier:(4R)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one

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