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78M

78M
Name:	(2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE
Formula:	C18 H34 O4
SMILES:	O=C(OCC(O)CO)CCCCCC=C/CCCCCCC
InChi:	InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)22-16-17(20)15-19/h8-9,17,19-20H,2-7,10-16H2,1H3/b9-8-/t17-/m0/s1
Synonyms:	7.8 MONOACYLGLYCEROL
Definition date:	2012-01-19
Last modified:	2021-03-01
Release date:	2013-02-01
Identifier:	(2S)-2,3-dihydroxypropyl (7Z)-pentadec-7-enoate

P16

P16
Name:	6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE
Formula:	C21 H16 Cl2 N4 O2
SMILES:	Clc4cccc(Cl)c4C3=Cc1c(nc(nc1)Nc2cc(ccc2)CO)N(C3=O)C
InChi:	InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26)
Synonyms:	PD166326
Definition date:	2003-03-18
Last modified:	2021-03-01
Identifier:	6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one

78N

78N
Name:	(2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE
Formula:	C18 H34 O4
SMILES:	O=C(OCC(O)CO)CCCCCC=C/CCCCCCC
InChi:	InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)22-16-17(20)15-19/h8-9,17,19-20H,2-7,10-16H2,1H3/b9-8-/t17-/m1/s1
Synonyms:	7.8 MONOACYLGLYCEROL (2R)
Definition date:	2012-01-19
Last modified:	2021-03-01
Release date:	2013-02-01
Identifier:	(2R)-2,3-dihydroxypropyl (7Z)-pentadec-7-enoate

P17

P17
Name:	6-(2,6-DICHLORO-PHENYL)-8-METHYL-2-(3-METHYLSULFANYL-PHENYLAMINO)-8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE
Formula:	C21 H16 Cl2 N4 O S
SMILES:	Clc4cccc(Cl)c4C3=Cc1c(nc(nc1)Nc2cccc(SC)c2)N(C3=O)C
InChi:	InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
Synonyms:	PD173955
Definition date:	2002-07-31
Last modified:	2021-03-01
Identifier:	6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfanyl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one

78P

78P
Name:	(2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium
Formula:	C13 H16 N4 O
SMILES:	O=C(N)c3c1c(nc(n1)C2(NCCC2)C)ccc3
InChi:	InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1
Synonyms:	Veliparib
Definition date:	2007-10-09
Last modified:	2021-03-01
Identifier:	2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide

791

791
Name:	2-PHENYLMALONIC ACID
Formula:	C9 H8 O4
SMILES:	O=C(O)C(C(=O)O)c1ccccc1
InChi:	InChI=1S/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13)
Synonyms:	RU78191
Definition date:	2003-06-20
Last modified:	2021-03-01
Identifier:	phenylpropanedioic acid

P1S

P1S
Name:	(6AR,12AR)-3-(HYDROXYMETHYL)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-C]CHROMEN-6A(12AH)-OL
Formula:	C17 H14 O6
SMILES:	O3c2cc1OCOc1cc2C4(O)C3c5ccc(cc5OC4)CO
InChi:	InChI=1S/C17H14O6/c18-6-9-1-2-10-12(3-9)20-7-17(19)11-4-14-15(22-8-21-14)5-13(11)23-16(10)17/h1-5,16,18-19H,6-8H2/t16-,17+/m1/s1
Synonyms:	PISATIN
Definition date:	2005-04-28
Last modified:	2021-03-01
Identifier:	(6aR,12aR)-3-(hydroxymethyl)-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-6a(12aH)-ol

799

799
Name:	2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide
Formula:	C24 H28 N8 O2
SMILES:	C(N)(C(C)(C)n5cc(c1cc2c(cc1)c3n(CCO2)cc(n3)c4nc(C)nn4C(C)C)cn5)=O
InChi:	InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)
Synonyms:	taselisib
Definition date:	2016-09-13
Last modified:	2021-03-01
Release date:	2017-01-11
Identifier:	2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide

79A

79A
Name:	3-{[(1S)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile
Formula:	C17 H12 F3 N O4 S
SMILES:	N#Cc1cc(cc(c1)F)Oc2ccc(c3c2CC(C3O)(F)F)S(C)(=O)=O
InChi:	InChI=1S/C17H12F3NO4S/c1-26(23,24)14-3-2-13(12-7-17(19,20)16(22)15(12)14)25-11-5-9(8-21)4-10(18)6-11/h2-6,16,22H,7H2,1H3/t16-/m0/s1
Synonyms:	PT2385
Definition date:	2016-09-14
Last modified:	2021-03-01
Release date:	2016-09-21
Identifier:	3-{[(1S)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile

P24

P24
Name:	1-(AMINOETHYL)AMINO-4-AMINOBUTANE
Formula:	C6 H17 N3
SMILES:	NCCCCNCCN
InChi:	InChI=1S/C6H17N3/c7-3-1-2-5-9-6-4-8/h9H,1-8H2
Synonyms:	PA(24)
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	N-(2-aminoethyl)butane-1,4-diamine

P2E

P2E
Name:	(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid
Formula:	C20 H32 O5
SMILES:	O=C1CC(O)C(/C=C/C(O)CCCCC)C1CC=C/CCCC(=O)O
InChi:	InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
Synonyms:	Prostaglandin E2
Definition date:	2009-06-04
Last modified:	2021-03-01
Release date:	2014-07-23
Identifier:	(5Z,11alpha,12alpha,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oic acid

P2S

P2S
Name:	(2S)-2-AMINO-4-[[(2R)-2-CARBOXYBUTYL](PHOSPHONO)SULFONIMIDOYL]BUTANOIC ACID
Formula:	C9 H19 N2 O8 P S
SMILES:	O=P(N=S(=O)(CC(C(=O)O)CC)CCC(C(=O)O)N)(O)O
InChi:	InChI=1S/C9H19N2O8PS/c1-2-6(8(12)13)5-21(19,11-20(16,17)18)4-3-7(10)9(14)15/h6-7H,2-5,10H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)/t6-,7+,21-/m1/s1
Synonyms:	N-PHOSPHORYL (2S)-2-AMINO-4-[(2S)-2-CARBOXYBUTYL-(R)-SULFONIMIDOYL]BUTANOIC ACID
Definition date:	2004-02-13
Last modified:	2021-03-01
Identifier:	(2S)-2-amino-4-{S-[(2S)-2-carboxybutyl]-N-phosphonosulfonimidoyl}butanoic acid

7AP

7AP
Name:	(1S,2S)-1-(2,4-DIAMINOPTERIDIN-6-YL)PROPANE-1,2-DIOL
Formula:	C9 H12 N6 O2
SMILES:	n1c2c(ncc1C(O)C(O)C)nc(nc2N)N
InChi:	InChI=1S/C9H12N6O2/c1-3(16)6(17)4-2-12-8-5(13-4)7(10)14-9(11)15-8/h2-3,6,16-17H,1H3,(H4,10,11,12,14,15)/t3-,6+/m0/s1
Synonyms:	4-AMINOBIOPTERIN
Definition date:	2006-03-07
Last modified:	2021-03-01
Identifier:	(1S,2S)-1-(2,4-diaminopteridin-6-yl)propane-1,2-diol

7AX

7AX
Name:	7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile
Formula:	C23 H17 N3 O4
SMILES:	c2c1ccc(cc1cc(c2)Oc4ccccc4OCCN3C=CC(=O)NC3=O)C#N
InChi:	InChI=1S/C23H17N3O4/c24-15-16-5-6-17-7-8-19(14-18(17)13-16)30-21-4-2-1-3-20(21)29-12-11-26-10-9-22(27)25-23(26)28/h1-10,13-14H,11-12H2,(H,25,27,28)
Synonyms:	JLJ649
Definition date:	2016-09-26
Last modified:	2021-03-01
Release date:	2017-01-11
Identifier:	7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile

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

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

7BD

7BD
Name:	3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid
Formula:	C16 H13 N O3
SMILES:	O=C(O)CCON=C3c1ccccc1c2c3cccc2
InChi:	InChI=1S/C16H13NO3/c18-15(19)9-10-20-17-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16/h1-8H,9-10H2,(H,18,19)
Synonyms:	3-(9H-fluoren-9-ylideneaminooxy)propanoic acid
Definition date:	2009-04-06
Last modified:	2021-03-01
Identifier:	3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid

7BL

7BL
Name:	(4S,5E,8S,9E,11S,13E,15E,18R)-4-hydroxy-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methylhexa-1,4-dien-1-yl]oxacyclooctadeca-5,9,13,15-tetraen-2-one
Formula:	C27 H40 O4
SMILES:	CC=[C@H]CC(=C/C1CC=CC=CCC(C=C(C(OC)CC=CC(CC(O1)=O)O)C)C)C
InChi:	InChI=1S/C27H40O4/c1-6-7-13-22(3)19-25-16-11-9-8-10-14-21(2)18-23(4)26(30-5)17-12-15-24(28)20-27(29)31-25/h6-12,15,18-19,21,24-26,28H,13-14,16-17,20H2,1-5H3/b7-6+,10-8+,11-9+,15-12+,22-19-,23-18+/t21-,24+,25+,26-/m0/s1
Synonyms:	biselyngbyolide B
Definition date:	2015-03-16
Last modified:	2021-03-01
Release date:	2016-01-13
Identifier:	(4S,5E,8S,9E,11S,13E,15E,18R)-4-hydroxy-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methylhexa-1,4-dien-1-yl]oxacyclooctadeca-5,9,13,15-tetraen-2-one

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

7BS

7BS
Name:	(4S,5E,8S,9E,11S,13E,15E,18R)-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methylhexa-1,4-dien-1-yl]-2-oxooxacyclooctadeca-5,9,13,15-tetraen-4-yl 3-O-methyl-beta-D-glucopyranoside
Formula:	C34 H52 O9
SMILES:	COC2CC=CC(OC1OC(C(C(C1O)OC)O)CO)CC(OC(CC=CC=CCC(C=C2C)C)[C@H]=C(C)C[C@H]=CC)=O
InChi:	InChI=1S/C34H52O9/c1-7-8-14-24(3)20-26-16-12-10-9-11-15-23(2)19-25(4)28(39-5)18-13-17-27(21-30(36)41-26)42-34-32(38)33(40-6)31(37)29(22-35)43-34/h7-13,17,19-20,23,26-29,31-35,37-38H,14-16,18,21-22H2,1-6H3/b8-7+,11-9+,12-10+,17-13+,24-20-,25-19+/t23-,26+,27+,28-,29+,31+,32+,33-,34+/m0/s1
Synonyms:	Biselyngbyaside
Definition date:	2015-02-27
Last modified:	2021-03-01
Release date:	2016-01-13
Identifier:	(4S,5E,8S,9E,11S,13E,15E,18R)-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methylhexa-1,4-dien-1-yl]-2-oxooxacyclooctadeca-5,9,13,15-tetraen-4-yl 3-O-methyl-beta-D-glucopyranoside

7BT

7BT
Name:	(~{Z})-~{N}-[2-[(2~{R},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Formula:	C20 H29 N O9
SMILES:	COc1cc(C=CC(=O)NCC[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc(OC)c1OC
InChi:	InChI=1S/C20H29NO9/c1-27-13-8-11(9-14(28-2)20(13)29-3)4-5-16(23)21-7-6-12-17(24)19(26)18(25)15(10-22)30-12/h4-5,8-9,12,15,17-19,22,24-26H,6-7,10H2,1-3H3,(H,21,23)/b5-4-/t12-,15-,17+,18+,19-/m1/s1
Synonyms:	Laura237
Definition date:	2016-09-29
Last modified:	2021-03-01
Release date:	2017-05-31
Identifier:	(~{Z})-~{N}-[2-[(2~{R},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

7CA

7CA
Name:	5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE
Formula:	C27 H32 O10
SMILES:	O=C2C(OC1OC(C(O)C(O)C1O)C)=C(Oc3c(c(O)cc(O)c23)CCC(C)C)c4ccc(OC)cc4
InChi:	InChI=1S/C27H32O10/c1-12(2)5-10-16-17(28)11-18(29)19-21(31)26(37-27-23(33)22(32)20(30)13(3)35-27)24(36-25(16)19)14-6-8-15(34-4)9-7-14/h6-9,11-13,20,22-23,27-30,32-33H,5,10H2,1-4H3/t13-,20-,22+,23+,27-/m0/s1
Synonyms:	ICARISID II
Definition date:	2006-05-26
Last modified:	2021-03-01
Identifier:	5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbutyl)-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside

7CH

7CH
Name:	(2S,4aR,6R,7R,7aS)-6-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide
Formula:	C11 H13 N4 O6 P
SMILES:	O=P3(OCC4OC(n2c1ncnc(N)c1cc2)C(O)C4O3)O
InChi:	InChI=1S/C11H13N4O6P/c12-9-5-1-2-15(10(5)14-4-13-9)11-7(16)8-6(20-11)3-19-22(17,18)21-8/h1-2,4,6-8,11,16H,3H2,(H,17,18)(H2,12,13,14)/t6-,7-,8-,11-/m1/s1
Synonyms:	7-CH-cAMP
Definition date:	2013-12-16
Last modified:	2021-03-01
Release date:	2014-03-19
Identifier:	(2S,4aR,6R,7R,7aS)-6-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide

P5B

P5B
Name:	N-(ETHYLSULFONYL)TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}GLUTAMAMIDE
Formula:	C26 H33 N7 O5 S
SMILES:	O=C(NCc1ccc(C(=[N@H])N)cc1)C(NC(=O)C(NS(=O)(=O)CC)Cc3c2ccccc2nc3)CCC(=O)N
InChi:	InChI=1S/C26H33N7O5S/c1-2-39(37,38)33-22(13-18-15-30-20-6-4-3-5-19(18)20)26(36)32-21(11-12-23(27)34)25(35)31-14-16-7-9-17(10-8-16)24(28)29/h3-10,15,21-22,30,33H,2,11-14H2,1H3,(H2,27,34)(H3,28,29)(H,31,35)(H,32,36)/t21-,22+/m0/s1
Synonyms:	2-[2-ETHANESULFONYLAMINO-3-(1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIM IDOYL-BENZYLAMIDE)
Definition date:	2004-12-15
Last modified:	2021-03-01
Identifier:	N-(ethylsulfonyl)-D-tryptophyl-N~1~-(4-carbamimidoylbenzyl)-L-glutamamide

P5D

P5D
Name:	(2R)-2-{[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]methyl}butanedioic acid
Formula:	C13 H18 N O6 P
SMILES:	O=C(O)C(CC(=O)O)CP(=O)(O)C(N)Cc1ccccc1
InChi:	InChI=1S/C13H18NO6P/c14-11(6-9-4-2-1-3-5-9)21(19,20)8-10(13(17)18)7-12(15)16/h1-5,10-11H,6-8,14H2,(H,15,16)(H,17,18)(H,19,20)/t10-,11+/m0/s1
Synonyms:	L-PHE-D-ASP PHOSPHINATE PSEUDODIPEPTIDE
Definition date:	2011-05-18
Last modified:	2021-03-01
Identifier:	(2R)-2-{[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]methyl}butanedioic acid

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數據於2024-08-14公開中

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