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AF9
AF9
Name:5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonamide
Formula:C14 H19 N5 O4 S
SMILES:COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1[S](N)(=O)=O
InChi:InChI=1S/C14H19N5O4S/c1-7(2)8-4-10(22-3)12(24(17,20)21)5-9(8)23-11-6-18-14(16)19-13(11)15/h4-7H,1-3H3,(H2,17,20,21)(H4,15,16,18,19)
Synonyms:AF-219
Definition date:2017-12-05
Last modified:2021-03-01
Release date:2018-04-04
Identifier:5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonamide
AFB
AFB
Name:1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-4-ONE
Formula:C16 H24 O4
SMILES:O=C1OC(CCCC=CC2C(C(O)C=C1)CC(O)C2)C
InChi:InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/b6-4+,8-7+/t11-,12+,13-,14+,15+/m0/s1
Synonyms:BREFELDIN A
Definition date:2003-11-12
Last modified:2021-03-01
Identifier:(1R,2E,6S,10E,11aS,13S,14aR)-1,13-dihydroxy-6-methyl-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecin-4-one
H8G
H8G
Name:N,N-diethyl-N'-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea
Formula:C20 H26 N4 O
SMILES:CCN(CC)C(=O)NC3C=C2c4cccc1c4c(cn1)CC2N(C)C3
InChi:InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
Synonyms:lisuride
Definition date:2018-06-15
Last modified:2021-03-01
Release date:2018-08-29
Identifier:N,N-diethyl-N'-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea
H8H
H8H
Name:N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE
Formula:C27 H32 Cl N5 O5
SMILES:Clc2ccc1OCOc1c2Nc6ncnc5c6c(OC3CCOCC3)cc(OCCN4CCN(C)CC4)c5
InChi:InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)
Synonyms:SARACATINIB
Definition date:2006-06-14
Last modified:2021-03-01
Identifier:N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine
H8J
H8J
Name:(8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide
Formula:C21 H27 N3 O2
SMILES:CCC(CO)NC(=O)C3C=C2c4cccc1c4c(cn1C)CC2N(C)C3
InChi:InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
Synonyms:methysergide
Definition date:2018-06-15
Last modified:2021-03-01
Release date:2018-08-29
Identifier:(8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide
H8M
H8M
Name:(1S)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-beta-carboline
Formula:C21 H23 Cl N2 O2
SMILES:COc4ccc(CC1c2c(CCN1)c3cc(C)ccc3n2)c(c4OC)Cl
InChi:InChI=1S/C21H23ClN2O2/c1-12-4-6-16-15(10-12)14-8-9-23-17(20(14)24-16)11-13-5-7-18(25-2)21(26-3)19(13)22/h4-7,10,17,23-24H,8-9,11H2,1-3H3/t17-/m0/s1
Synonyms:LY266097
Definition date:2018-06-15
Last modified:2021-03-01
Release date:2018-08-29
Identifier:(1S)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-beta-carboline
HBN
HBN
Name:N-(2-NAPHTHYL)HISTIDINAMIDE
Formula:C16 H16 N4 O
SMILES:O=C(Nc2cc1ccccc1cc2)C(N)Cc3cncn3
InChi:InChI=1S/C16H16N4O/c17-15(8-14-9-18-10-19-14)16(21)20-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,15H,8,17H2,(H,18,19)(H,20,21)/t15-/m1/s1
Synonyms:L-HISTIDINE BETA NAPHTHYLAMIDE
Definition date:2004-04-05
Last modified:2021-03-01
Identifier:N-naphthalen-2-yl-D-histidinamide
HBV
HBV
Name:3-fluoro-N-hydroxy-4-[(methyl{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)methyl]benzamide
Formula:C20 H27 F N2 O2
SMILES:C(C13CC2CC(C1)CC(C2)C3)N(C)Cc4c(F)cc(C(=O)NO)cc4
InChi:InChI=1S/C20H27FN2O2/c1-23(11-17-3-2-16(7-18(17)21)19(24)22-25)12-20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,13-15,25H,4-6,8-12H2,1H3,(H,22,24)/t13-,14+,15-,20-
Synonyms:Bavarostat
Definition date:2018-06-25
Last modified:2021-03-01
Release date:2018-08-29
Identifier:3-fluoro-N-hydroxy-4-[(methyl{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)methyl]benzamide
HBY
HBY
Name:(S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE
Formula:C15 H20 N2 O3 S2
SMILES:S=C2Nc1c(cc(OC)cc1)N(C(=O)OC(C)C)C2CSC
InChi:InChI=1S/C15H20N2O3S2/c1-9(2)20-15(18)17-12-7-10(19-3)5-6-11(12)16-14(21)13(17)8-22-4/h5-7,9,13H,8H2,1-4H3,(H,16,21)/t13-/m0/s1
Synonyms:HBY 097
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:1-methylethyl (2S)-7-methoxy-2-[(methylsulfanyl)methyl]-3-thioxo-3,4-dihydroquinoxaline-1(2H)-carboxylate
HC5
HC5
Name:(R)-3-CARBOXY-2-(HEXANOYLOXY)-N,N,N-TRIMETHYLPROPAN-1-AMINIUM
Formula:C13 H26 N O4
SMILES:O=C(O)CC(OC(=O)CCCCC)C[N+](C)(C)C
InChi:InChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3/p+1/t11-/m1/s1
Synonyms:HEXANOYLCARNITINE
Definition date:2006-05-26
Last modified:2021-03-01
Identifier:(2R)-3-carboxy-2-(hexanoyloxy)-N,N,N-trimethylpropan-1-aminium
HCD
HCD
Name:(3alpha,8alpha)-cholest-5-ene-3,20-diol
Formula:C27 H46 O2
SMILES:OC(C4C3(C(C1C(C2(C(=CC1)CC(O)CC2)C)CC3)CC4)C)(C)CCCC(C)C
InChi:InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1
Synonyms:20S-hydroxycholesterol
Definition date:2010-06-02
Last modified:2021-03-01
Identifier:(3alpha,8alpha)-cholest-5-ene-3,20-diol
HCE
HCE
Name:{(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}-L-methionine
Formula:C16 H24 N6 O3 S
SMILES:O=C(O)C(N)CCSCC3CN(Cc2cnc1c2ncnc1N)CC3O
InChi:InChI=1S/C16H24N6O3S/c17-11(16(24)25)1-2-26-7-10-5-22(6-12(10)23)4-9-3-19-14-13(9)20-8-21-15(14)18/h3,8,10-12,19,23H,1-2,4-7,17H2,(H,24,25)(H2,18,20,21)/t10-,11+,12+/m1/s1
Synonyms:homocysteine-DADMe-Immucillin-A
Definition date:2012-05-11
Last modified:2021-03-01
Release date:2013-05-01
Identifier:{(3S,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}-L-methionine
HCM
HCM
Name:(2S)-2-amino-4-(methyldisulfanyl)butanoic acid
Formula:C5 H11 N O2 S2
SMILES:O=C(O)C(N)CCSSC
InChi:InChI=1S/C5H11NO2S2/c1-9-10-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
Synonyms:S-methylsulfanyl-homocystein
Definition date:2012-12-18
Last modified:2021-03-01
Release date:2013-12-18
Identifier:(2S)-2-amino-4-(methyldisulfanyl)butanoic acid
HCY
HCY
Name:(11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione
Formula:C21 H30 O5
SMILES:O=C(CO)C3(O)C2(CC(O)C4C1(C(=CC(=O)CC1)CCC4C2CC3)C)C
InChi:InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
Synonyms:CORTISOL
Definition date:2007-10-13
Last modified:2021-03-01
Identifier:(11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione
HDC
HDC
Name:3R-HYDROXYDECANOYL-COENZYME A
Formula:C31 H54 N7 O18 P3 S
SMILES:O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CC(O)CCCCCCC
InChi:InChI=1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20-,24-,25-,26+,30-/m1/s1
Synonyms:3R-HYDROXYDECANOYL-COA
Definition date:2003-06-17
Last modified:2021-03-01
Identifier:S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (3R)-3-hydroxydecanethioate (non-preferred name)
HDH
HDH
Name:4-oxidanylbenzohydrazide
Formula:C7 H8 N2 O2
SMILES:NNC(=O)c1ccc(O)cc1
InChi:InChI=1S/C7H8N2O2/c8-9-7(11)5-1-3-6(10)4-2-5/h1-4,10H,8H2,(H,9,11)
Synonyms:4-hydroxybenzoic acid hydrazide
Definition date:2016-11-18
Last modified:2021-03-01
Release date:2017-02-01
Identifier:4-oxidanylbenzohydrazide
HDL
HDL
Name:D-arabinohydroxamic acid
Formula:C5 H9 N O7
SMILES:O=C(NO)C(O)C(O)C(O)C(=O)O
InChi:InChI=1S/C5H9NO7/c7-1(3(9)5(11)12)2(8)4(10)6-13/h1-3,7-9,13H,(H,6,10)(H,11,12)/t1-,2+,3+/m1/s1
Synonyms:D-arabinohydroxamate
Definition date:2009-05-26
Last modified:2021-03-01
Identifier:1-(hydroxyamino)-D-lyxuronic acid
HEJ
HEJ
Name:9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine
Formula:C10 H16 N5 O13 P3
SMILES:Nc1ncnc2c1ncn2C3OC(COP(O)(=O)OP(O)(=O)OP(O)(=O)O)C(O)C3O
InChi:InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7+,10-/m1/s1
Synonyms:Vidarabine-TRIPHOSPHATE
Definition date:2018-06-27
Last modified:2021-03-01
Release date:2018-10-24
Identifier:9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine
HF4
HF4
Name:4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one
Formula:C9 H16 N3 O14 P3
SMILES:C=1N(C(=O)N=C(N)C=1)C2C(C(C(COP(OP(OP(=O)(O)O)(O)=O)(O)=O)O2)O)O
InChi:InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8-/m1/s1
Synonyms:Cytarabine-TRIPHOSPHATE
Definition date:2018-06-27
Last modified:2021-03-01
Release date:2018-10-10
Identifier:4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one
HFG
HFG
Name:7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one
Formula:C16 H17 Br Cl N3 O3
SMILES:Brc3c(Cl)cc1c(N=CN(C1=O)CC(=O)CC2NCCCC2O)c3
InChi:InChI=1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2/t14-,15+/m1/s1
Synonyms:Halofuginone
Definition date:2012-11-09
Last modified:2021-03-01
Release date:2012-12-28
Identifier:7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one
HGG
HGG
Name:(3R,5S,9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide
Formula:C26 H42 N7 O20 P3 S
SMILES:O=C(O)CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
InChi:InChI=1S/C26H42N7O20P3S/c1-26(2,21(40)24(41)29-4-3-15(35)28-5-6-57-17(38)8-13(34)7-16(36)37)10-50-56(47,48)53-55(45,46)49-9-14-20(52-54(42,43)44)19(39)25(51-14)33-12-32-18-22(27)30-11-31-23(18)33/h11-14,19-21,25,34,39-40H,3-10H2,1-2H3,(H,28,35)(H,29,41)(H,36,37)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13-,14+,19+,20+,21-,25+/m0/s1
Synonyms:3-Hydroxyl Glutaryl CoA
Definition date:2010-04-29
Last modified:2021-03-01
Identifier:(3R,5S,9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name)
HGI
HGI
Name:MERCURY (II) IODIDE
Formula:Hg I2
SMILES:I[Hg]I
InChi:InChI=1S/Hg.2HI/h
Synonyms:MERCURY DIIODIDE
Definition date:2001-06-20
Last modified:2021-03-01
Identifier:mercury diiodide
HH0
HH0
Name:methyl N-[(2S)-2-({(S)-hydroxy[(1R)-3-methyl-1-{[N-(3-methylbutanoyl)-L-valyl-L-valyl]amino}butyl]phosphoryl}oxy)-3-phenylpropanoyl]-L-alanyl-L-alaninate
Formula:C36 H60 N5 O10 P
SMILES:O=C(OC)C(NC(=O)C(NC(=O)C(OP(=O)(O)C(NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)CC(C)C)Cc1ccccc1)C)C
InChi:InChI=1S/C36H60N5O10P/c1-20(2)17-28(42)39-30(22(5)6)35(46)41-31(23(7)8)34(45)40-29(18-21(3)4)52(48,49)51-27(19-26-15-13-12-14-16-26)33(44)37-24(9)32(43)38-25(10)36(47)50-11/h12-16,20-25,27,29-31H,17-19H2,1-11H3,(H,37,44)(H,38,43)(H,39,42)(H,40,45)(H,41,46)(H,48,49)/t24-,25-,27-,29+,30-,31-/m0/s1
Synonyms:IVA-VAL-VAL-LEU(P)-(O)PHE-ALA-ALA-OME
Definition date:2010-11-02
Last modified:2021-03-01
Identifier:methyl N-[(2S)-2-({(S)-hydroxy[(1R)-3-methyl-1-{[N-(3-methylbutanoyl)-L-valyl-L-valyl]amino}butyl]phosphoryl}oxy)-3-phenylpropanoyl]-L-alanyl-L-alaninate
HH2
HH2
Name:6-HYDROXYMETHYLPTERIN-DIPHOSPHATE
Formula:C7 H9 N5 O8 P2
SMILES:O=P(O)(O)OP(=O)(O)OCc1nc2C(=O)NC(=Nc2nc1)N
InChi:InChI=1S/C7H9N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1H,2H2,(H,17,18)(H2,14,15,16)(H3,8,9,11,12,13)
Synonyms:[PTERIN-6-YL METHANYL]-PHOSPHONOPHOSPHATE
Definition date:2000-12-21
Last modified:2021-03-01
Identifier:(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl trihydrogen diphosphate
HID
HID
Name:(5-hydroxy-1H-indol-3-yl)acetic acid
Formula:C10 H9 N O3
SMILES:OC(=O)Cc1c[nH]c2ccc(O)cc12
InChi:InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)
Synonyms:5-hydroxy-indole acetate
Definition date:2010-02-08
Last modified:2021-03-01
Identifier:2-(5-hydroxy-1H-indol-3-yl)ethanoic acid

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数据于2025-11-12公开中

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