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P3P
P3P
Name:(2S)-2-AMINO-4-[METHYL(PHOSPHONOOXY)PHOSPHORYL]BUTANOIC ACID
Formula:C5 H13 N O7 P2
SMILES:O=P(OP(=O)(O)O)(CCC(C(=O)O)N)C
InChi:InChI=1S/C5H13NO7P2/c1-14(9,13-15(10,11)12)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H2,10,11,12)/t4-,14+/m0/s1
Synonyms:PHOSPHINOTHRICIN PHOSPHATE
Definition date:2005-09-27
Last modified:2021-03-01
Identifier:(2S)-2-amino-4-[(R)-methyl(phosphonooxy)phosphoryl]butanoic acid
NG3
NG3
Name:3'-amino-2',3'-dideoxyguanosine 5'-(tetrahydrogen triphosphate)
Formula:C10 H17 N6 O12 P3
SMILES:C=2(N)Nc1n(cnc1C(N=2)=O)C3CC(N)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3
InChi:InChI=1S/C10H17N6O12P3/c11-4-1-6(16-3-13-7-8(16)14-10(12)15-9(7)17)26-5(4)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6H,1-2,11H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,12,14,15,17)/t4-,5+,6+/m0/s1
Synonyms:3'-amino-dGTP
Definition date:2019-10-25
Last modified:2021-03-01
Release date:2020-03-18
Identifier:3'-amino-2',3'-dideoxyguanosine 5'-(tetrahydrogen triphosphate)
SQD
SQD
Name:1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL
Formula:C41 H78 O12 S
SMILES:O=S(=O)(O)CC1OC(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)C(O)C(O)C1O
InChi:InChI=1S/C41H78O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(42)50-31-34(32-51-41-40(46)39(45)38(44)35(53-41)33-54(47,48)49)52-37(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-41,44-46H,3-33H2,1-2H3,(H,47,48,49)/t34-,35-,38-,39+,40-,41+/m1/s1
Synonyms:SULFOQUINOVOSYLDIACYLGLYCEROL
Definition date:2003-11-03
Last modified:2021-03-01
Identifier:(2S)-2,3-bis(hexadecanoyloxy)propyl 6-deoxy-6-sulfo-alpha-D-glucopyranoside
RIM
RIM
Name:RIMANTADINE
Formula:C12 H21 N
SMILES:NC(C)C13CC2CC(CC(C1)C2)C3
InChi:InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3/t8-,9-,10+,11-,12-/m1/s1
Synonyms:1-(1-ADAMANTYL)ETHANAMINE
Definition date:2007-07-19
Last modified:2021-03-01
Identifier:(1R)-1-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethanamine
XMP
XMP
Name:XANTHOSINE-5'-MONOPHOSPHATE
Formula:C10 H14 N4 O9 P
SMILES:O=C3Nc1c([nH+]cn1C2OC(C(O)C2O)COP(=O)(O)O)C(=O)N3
InChi:InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)/p+1/t3-,5-,6-,9-/m1/s1
Synonyms:5-MONOPHOSPHATE-9-BETA-D-RIBOFURANOSYL XANTHINE
Definition date:1999-07-12
Last modified:2021-03-01
Identifier:5'-xanthylic acid
PIL
PIL
Name:3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-METHOXYBENZAMIDE
Formula:C18 H18 Cl2 N2 O3
SMILES:Clc3c(NC(=O)c2ccc(OC)c(OC1CCCC1)c2)c(Cl)cnc3
InChi:InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
Synonyms:PICLAMILAST
Definition date:2004-11-17
Last modified:2021-03-01
Identifier:3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-methoxybenzamide
AJU
AJU
Name:2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine-18-carboxylic acid
Formula:C17 H24 O8
SMILES:O=C(O)c1ccc2c(c1)OCCOCCOCCOCCOCCO2
InChi:InChI=1S/C17H24O8/c18-17(19)14-1-2-15-16(13-14)25-12-10-23-8-6-21-4-3-20-5-7-22-9-11-24-15/h1-2,13H,3-12H2,(H,18,19)
Synonyms:4'-Carboxybenzo-18-crown 6-Ether
Definition date:2018-11-07
Last modified:2021-03-01
Release date:2019-03-13
Identifier:2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine-18-carboxylic acid
T5O
T5O
Name:2'-deoxy-5-methoxyuridine 5'-(dihydrogen phosphate)
Formula:C10 H15 N2 O9 P
SMILES:O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(OC)=C1)CC2O
InChi:InChI=1S/C10H15N2O9P/c1-19-6-3-12(10(15)11-9(6)14)8-2-5(13)7(21-8)4-20-22(16,17)18/h3,5,7-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t5-,7+,8+/m0/s1
Synonyms:5-methoxy-2'-deoxyuridine-5'-phosphate
Definition date:2009-08-05
Last modified:2021-03-01
Identifier:2'-deoxy-5-methoxyuridine 5'-(dihydrogen phosphate)
SQL
SQL
Name:(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
Formula:C30 H50
SMILES:C(=C/CC/C(=C/CCC(=C/CCC=C(/C)CCC=C(/C)CCC=C(/C)C)/C)C)(C)C
InChi:InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
Synonyms:squalene
Definition date:2012-06-07
Last modified:2021-03-01
Release date:2013-05-15
Identifier:(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
P40
P40
Name:N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
Formula:C25 H29 N5 O2
SMILES:O=C(NC1CC1)c2cc(c(cc2)C)c4ccc3nc(ncc3c4)NCCN5CCOCC5
InChi:InChI=1S/C25H29N5O2/c1-17-2-3-19(24(31)28-21-5-6-21)15-22(17)18-4-7-23-20(14-18)16-27-25(29-23)26-8-9-30-10-12-32-13-11-30/h2-4,7,14-16,21H,5-6,8-13H2,1H3,(H,28,31)(H,26,27,29)
Synonyms:N-cyclopropyl-4-methyl-3-(2-((2-(4-morpholinyl)ethyl)amino)-6-quinazolinyl)benzamide
Definition date:2008-07-16
Last modified:2021-03-01
Identifier:N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
MMZ
MMZ
Name:1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE
Formula:C4 H6 N2 S
SMILES:S=C1N(C=CN1)C
InChi:InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)
Synonyms:METHIMAZOLE
Definition date:2006-05-04
Last modified:2021-03-01
Identifier:1-methyl-1,3-dihydro-2H-imidazole-2-thione
RIT
RIT
Name:RITONAVIR
Formula:C37 H48 N6 O5 S2
SMILES:O=C(OCc1scnc1)NC(Cc2ccccc2)C(O)CC(NC(=O)C(NC(=O)N(Cc3nc(sc3)C(C)C)C)C(C)C)Cc4ccccc4
InChi:InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1
Synonyms:A-84538
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide
PIS
PIS
Name:TRIHYDROGEN THIODIPHOSPHATE
Formula:H3 O6 P2 S
SMILES:[S-]P(=O)(O)OP(=O)(O)O
InChi:InChI=1S/H4O6P2S/c1-7(2,3)6-8(4,5)9/h(H2,1,2,3)(H2,4,5,9)/p-1
Synonyms:THIOPYROPHOSPHATE
Definition date:2004-06-29
Last modified:2021-03-01
Identifier:trihydrogen thiodiphosphate
RIV
RIV
Name:5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide
Formula:C19 H18 Cl N3 O5 S
SMILES:O=C(NCC3OC(=O)N(c2ccc(N1C(=O)COCC1)cc2)C3)c4sc(Cl)cc4
InChi:InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1
Synonyms:Rivaroxaban
Definition date:2008-10-24
Last modified:2021-03-01
Identifier:5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide
NUT
NUT
Name:4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one
Formula:C30 H30 Cl2 N4 O4
SMILES:O=C5NCCN(C(=O)N3C(=NC(c1ccc(Cl)cc1)C3c2ccc(Cl)cc2)c4ccc(OC)cc4OC(C)C)C5
InChi:InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
Synonyms:Nutlin 3a
Definition date:2012-10-12
Last modified:2021-03-01
Release date:2013-04-24
Identifier:4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one
ZD6
ZD6
Name:Vandetanib
Formula:C22 H24 Br F N4 O2
SMILES:COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4
InChi:InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
Synonyms:ZD6474
Definition date:2006-06-16
Last modified:2021-03-01
Identifier:~{N}-(4-bromanyl-2-fluoranyl-phenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
PXO
PXO
Name:(1Z)-propanal oxime
Formula:C3 H7 N O
SMILES:N(/O)=C/CC
InChi:InChI=1S/C3H7NO/c1-2-3-4-5/h3,5H,2H2,1H3/b4-3-
Synonyms:(Z)-propionaldoxime
Definition date:2009-03-31
Last modified:2021-03-01
Identifier:(1Z)-propanal oxime
RJ1
RJ1
Name:N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide
Formula:C9 H9 Cl F3 N5
SMILES:Clc1ccc(cc1NC(=[N@H])NC(=[N@H])N)C(F)(F)F
InChi:InChI=1S/C9H9ClF3N5/c10-5-2-1-4(9(11,12)13)3-6(5)17-8(16)18-7(14)15/h1-3H,(H6,14,15,16,17,18)
Synonyms:2-{[{[amino(imino)methyl]amino}(imino)methyl]amino}-1-chloro-4-(trifluoromethyl)benzene
Definition date:2008-06-17
Last modified:2021-03-01
Identifier:N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide
XN3
XN3
Name:N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(BENZO[1,3]DIOXOL-5-YLMETHYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
Formula:C38 H48 N4 O6
SMILES:O=C(NC2c1ccccc1CC2O)C(Cc3ccccc3)CC(O)CN4C(C(=O)NC(C)(C)C)CN(CC4)Cc5ccc6OCOc6c5
InChi:InChI=1S/C38H48N4O6/c1-38(2,3)40-37(46)31-23-41(21-26-13-14-33-34(18-26)48-24-47-33)15-16-42(31)22-29(43)19-28(17-25-9-5-4-6-10-25)36(45)39-35-30-12-8-7-11-27(30)20-32(35)44/h4-14,18,28-29,31-32,35,43-44H,15-17,19-24H2,1-3H3,(H,39,45)(H,40,46)/t28-,29+,31+,32-,35+/m1/s1
Synonyms:ANALOGUE OF INDINAVIR DRUG
Definition date:2001-11-02
Last modified:2021-03-01
Identifier:(2S)-4-(1,3-benzodioxol-5-ylmethyl)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-N-tert-butylpiperazine-2-carboxamide (non-preferred name)
WUL
WUL
Name:8-BROMANYL-2-[[(3S)-3-OXIDANYLPYRROLIDIN-1-YL]METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE
Formula:C15 H14 Br N3 O3
SMILES:Brc4cc3c(oc1c3N=C(NC1=O)CN2CCC(O)C2)cc4
InChi:InChI=1S/C15H14BrN3O3/c16-8-1-2-11-10(5-8)13-14(22-11)15(21)18-12(17-13)7-19-4-3-9(20)6-19/h1-2,5,9,20H,3-4,6-7H2,(H,17,18,21)/t9-/m0/s1
Synonyms:(S)-8-BROMO-2-((3-HYDROXYPYRROLIDIN-1-YL)METHYL)
Definition date:2012-03-20
Last modified:2021-03-01
Identifier:8-bromo-2-{[(3S)-3-hydroxypyrrolidin-1-yl]methyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
X8W
X8W
Name:(2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
Formula:C15 H12 O5
SMILES:O=C(c1c(O)cc(O)cc1O)C=Cc2ccc(O)cc2
InChi:InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H
Synonyms:NARINGENIN CHALCONE
Definition date:2014-04-24
Last modified:2021-03-01
Release date:2015-04-08
Identifier:(2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
NUZ
NUZ
Name:[4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
Formula:C21 H19 Cl N4 O4
SMILES:[O-][N+](=O)c1ccc(c(Cl)c1)N4CCN(C(=O)c3c(onc3c2ccccc2)C)CC4
InChi:InChI=1S/C21H19ClN4O4/c1-14-19(20(23-30-14)15-5-3-2-4-6-15)21(27)25-11-9-24(10-12-25)18-8-7-16(26(28)29)13-17(18)22/h2-8,13H,9-12H2,1H3
Synonyms:nucleozin
Definition date:2014-12-16
Last modified:2021-03-01
Release date:2015-12-16
Identifier:[4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
P4C
P4C
Name:O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL
Formula:C14 H28 O8
SMILES:O=CCOCCOCCOCCOCCOCCOCCO
InChi:InChI=1S/C14H28O8/c15-1-3-17-5-7-19-9-11-21-13-14-22-12-10-20-8-6-18-4-2-16/h1,16H,2-14H2
Synonyms:POLYETHYLENE 400
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:20-hydroxy-3,6,9,12,15,18-hexaoxaicosan-1-al
NGO
NGO
Name:2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE
Formula:C8 H14 N O5
SMILES:O1C(=[NH+]C2C(O)C(O)C(OC12)CO)C
InChi:InChI=1S/C8H13NO5/c1-3-9-5-7(12)6(11)4(2-10)14-8(5)13-3/h4-8,10-12H,2H2,1H3/p+1/t4-,5-,6-,7-,8+/m1/s1
Synonyms:N-ACETYLGLUCOSAMINE-OXAZOLINIUM ION INTERMEDIATE
Definition date:2000-08-25
Last modified:2021-03-01
Identifier:(3aR,5R,6S,7R,7aR)-6,7-dihydroxy-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-1-ium
NGQ
NGQ
Name:N-carbamimidoyl-L-glutamic acid
Formula:C6 H11 N3 O4
SMILES:O=C(O)C(NC(=[N@H])N)CCC(=O)O
InChi:InChI=1S/C6H11N3O4/c7-6(8)9-3(5(12)13)1-2-4(10)11/h3H,1-2H2,(H,10,11)(H,12,13)(H4,7,8,9)/t3-/m0/s1
Synonyms:N-Guanidino-L-Glutamate
Definition date:2010-04-12
Last modified:2021-03-01
Identifier:N-carbamimidoyl-L-glutamic acid

244693

数据于2025-11-12公开中

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