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QLT

QLT
Name:	Triethyltin bromide
Formula:	C6 H15 Br Sn
SMILES:	CC[Sn](Br)(CC)CC
InChi:	InChI=1S/3C2H5.BrH.Sn/c3*1-2
Synonyms:	bromanyl(triethyl)stannane
Definition date:	2020-06-29
Last modified:	2021-03-01
Release date:	2020-11-18
Identifier:	bromanyl(triethyl)stannane

QO4

QO4
Name:	5-{[(2S)-1-(3-oxo-3-{4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}propoxy)propan-2-yl]amino}-4-(trifluoromethyl)pyridazin-3(2H)-one
Formula:	C20 H23 F6 N7 O3
SMILES:	C(CC(=O)N1CCN(CC1)c2ncc(C(F)(F)F)cn2)OCC(C)NC3=C(C(=O)NN=C3)C(F)(F)F
InChi:	InChI=1S/C20H23F6N7O3/c1-12(30-14-10-29-31-17(35)16(14)20(24,25)26)11-36-7-2-15(34)32-3-5-33(6-4-32)18-27-8-13(9-28-18)19(21,22)23/h8-10,12H,2-7,11H2,1H3,(H2,30,31,35)/t12-/m0/s1
Synonyms:	RBN-2397
Definition date:	2019-11-27
Last modified:	2021-03-01
Release date:	2020-12-16
Identifier:	5-{[(2S)-1-(3-oxo-3-{4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}propoxy)propan-2-yl]amino}-4-(trifluoromethyl)pyridazin-3(2H)-one

QP8

QP8
Name:	tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate
Formula:	C19 H25 N5 O3
SMILES:	CC(C)(C)OC(=O)N1CCN(CC1)c2cc(nnc2N)c3ccccc3O
InChi:	InChI=1S/C19H25N5O3/c1-19(2,3)27-18(26)24-10-8-23(9-11-24)15-12-14(21-22-17(15)20)13-6-4-5-7-16(13)25/h4-7,12,25H,8-11H2,1-3H3,(H2,20,22)
Synonyms:	~{tert}-butyl 4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate
Definition date:	2020-07-15
Last modified:	2021-03-01
Release date:	2020-10-07
Identifier:	~{tert}-butyl 4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate

0G7

0G7
Name:	D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-prolinamide
Formula:	C21 H31 Cl N6 O3
SMILES:	O=C(NC(C(=O)CCl)CCCNC(=[N@H])N)C2N(C(=O)C(N)Cc1ccccc1)CCC2
InChi:	InChI=1S/C21H31ClN6O3/c22-13-18(29)16(8-4-10-26-21(24)25)27-19(30)17-9-5-11-28(17)20(31)15(23)12-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13,23H2,(H,27,30)(H4,24,25,26)/t15-,16+,17+/m1/s1
Synonyms:	d-Phe-Pro-Arg chloromethylketone (PPACK)
Definition date:	2010-11-03
Last modified:	2021-03-01
Identifier:	D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-prolinamide

QSB

QSB
Name:	3 bromo 4 hydroxybenzoic acid
Formula:	C7 H5 Br O3
SMILES:	OC(=O)c1ccc(O)c(Br)c1
InChi:	InChI=1S/C7H5BrO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)
Synonyms:	3-bromanyl-4-oxidanyl-benzoic acid
Definition date:	2020-07-31
Last modified:	2021-03-01
Release date:	2020-09-16
Identifier:	3-bromanyl-4-oxidanyl-benzoic acid

0GV

0GV
Name:	(3beta,8alpha,9beta)-3-hydroxycholest-5-en-7-one
Formula:	C27 H44 O2
SMILES:	O=C1C=C4C(C3C1C2C(C(C(C)CCCC(C)C)CC2)(C)CC3)(CCC(O)C4)C
InChi:	InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1
Synonyms:	7-ketocholesterol
Definition date:	2012-01-13
Last modified:	2021-03-01
Release date:	2013-01-04
Identifier:	(3beta,8alpha,9beta)-3-hydroxycholest-5-en-7-one

0HG

0HG
Name:	N-[(4S)-4-ammonio-4-carboxybutanoyl]-S-(4-bromobenzyl)-L-cysteinylglycine
Formula:	C17 H23 Br N3 O6 S
SMILES:	Brc1ccc(cc1)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)[NH3+]
InChi:	InChI=1S/C17H22BrN3O6S/c18-11-3-1-10(2-4-11)8-28-9-13(16(25)20-7-15(23)24)21-14(22)6-5-12(19)17(26)27/h1-4,12-13H,5-9,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/p+1/t12-,13-/m0/s1
Synonyms:	S-(p-bromobenzyl)-glutathione
Definition date:	2008-09-14
Last modified:	2021-03-01
Identifier:	N-[(4S)-4-ammonio-4-carboxybutanoyl]-S-(4-bromobenzyl)-L-cysteinylglycine

0HK

0HK
Name:	(1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane
Formula:	C19 H22 N O4 S2
SMILES:	O=C(OC3CC1[N+](C)(C)C(C2OC12)C3)C(O)(c4sccc4)c5sccc5
InChi:	InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+
Synonyms:	Tiotropium
Definition date:	2012-01-18
Last modified:	2021-03-01
Identifier:	(1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane

0IV

0IV
Name:	2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3R)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide
Formula:	C23 H34 N6 O5 S
SMILES:	O=C(NC(C=O)CC1CCCN(C(=[N@H])N)C1)CN3C(=O)C(NS(=O)(=O)Cc2ccccc2)CCC3
InChi:	InChI=1S/C23H34N6O5S/c24-23(25)29-11-4-8-18(13-29)12-19(15-30)26-21(31)14-28-10-5-9-20(22(28)32)27-35(33,34)16-17-6-2-1-3-7-17/h1-3,6-7,15,18-20,27H,4-5,8-14,16H2,(H3,24,25)(H,26,31)/t18-,19+,20+/m1/s1
Synonyms:	CVS1694
Definition date:	2008-11-06
Last modified:	2021-03-01
Identifier:	2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3R)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide

S2A

S2A
Name:	(1R,3A'S,10'S,10A'R)-7-METHOXY-2-OXO-10',10A'-DIHYDRO-2H,3A'H-SPIRO[NAPHTHALENE-1,3'-PENTALENO[1,2-B]NAPHTHALEN]-10'-YL 2,6-DIDEOXY-2-(METHYLAMINO)-ALPHA-D-GALACTOPYRANOSIDE
Formula:	C33 H33 N O6
SMILES:	O=C7C=Cc1ccc(OC)cc1C76C=CC5C(OC2OC(C(O)C(O)C2NC)C)c4cc3ccccc3cc4C56
InChi:	InChI=1S/C33H33NO6/c1-17-29(36)30(37)28(34-2)32(39-17)40-31-22-12-13-33(25-16-21(38-3)10-8-18(25)9-11-26(33)35)27(22)23-14-19-6-4-5-7-20(19)15-24(23)31/h4-17,22,27-32,34,36-37H,1-3H3/t17-,22-,27+,28-,29+,30-,31+,32-,33-/m1/s1
Synonyms:	SPIROCYCLIC ALKENE
Definition date:	2007-01-10
Last modified:	2021-03-01
Identifier:	(1R,3a'S,10'S,10a'R)-7-methoxy-2-oxo-10',10a'-dihydro-2H,3a'H-spiro[naphthalene-1,3'-pentaleno[1,2-b]naphthalen]-10'-yl 2,6-dideoxy-2-(methylamino)-alpha-D-galactopyranoside

0K7

0K7
Name:	2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
Formula:	C11 H9 N O2 S
SMILES:	O=C(O)c1nc(sc1)c2ccc(cc2)C
InChi:	InChI=1S/C11H9NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-6H,1H3,(H,13,14)
Synonyms:	MO07123
Definition date:	2012-01-30
Last modified:	2021-03-01
Release date:	2012-12-07
Identifier:	2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid

0KV

0KV
Name:	2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide
Formula:	C23 H34 N6 O5 S
SMILES:	O=C(NC(C=O)CC1CCCN(C(=[N@H])N)C1)CN3C(=O)C(NS(=O)(=O)Cc2ccccc2)CCC3
InChi:	InChI=1S/C23H34N6O5S/c24-23(25)29-11-4-8-18(13-29)12-19(15-30)26-21(31)14-28-10-5-9-20(22(28)32)27-35(33,34)16-17-6-2-1-3-7-17/h1-3,6-7,15,18-20,27H,4-5,8-14,16H2,(H3,24,25)(H,26,31)/t18-,19-,20-/m0/s1
Synonyms:	CVS1695
Definition date:	2010-06-25
Last modified:	2021-03-01
Identifier:	2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide

S5P

S5P
Name:	6-sulfanyluridine-5'-phosphate
Formula:	C9 H13 N2 O9 P S
SMILES:	O=C1NC(=O)N(C(S)=C1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:	InChI=1S/C9H13N2O9PS/c12-4-1-5(22)11(9(15)10-4)8-7(14)6(13)3(20-8)2-19-21(16,17)18/h1,3,6-8,13-14,22H,2H2,(H,10,12,15)(H2,16,17,18)/t3-,6-,7-,8-/m1/s1
Synonyms:	6-mercaptouridine-5'-monophosphate
Definition date:	2008-10-23
Last modified:	2021-03-01
Identifier:	6-sulfanyluridine 5'-(dihydrogen phosphate)

0NQ

0NQ
Name:	N-{(1S)-3-[(5S)-5-tert-butyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1-ethoxy-1-oxido-1,4-dihydro-2,4,1-benzodiazaphosphinin-7-yl}methanesulfonamide
Formula:	C24 H37 N4 O6 P S
SMILES:	O=S(=O)(Nc1ccc2c(c1)P(=O)(N=C(N2)C3=C(O)C(N(C3=O)CCC(C)(C)C)C(C)(C)C)OCC)C
InChi:	InChI=1S/C24H37N4O6PS/c1-9-34-35(31)17-14-15(27-36(8,32)33)10-11-16(17)25-21(26-35)18-19(29)20(24(5,6)7)28(22(18)30)13-12-23(2,3)4/h10-11,14,20,27,29H,9,12-13H2,1-8H3,(H,25,26,31)/t20-,35+/m1/s1
Synonyms:	IDX375
Definition date:	2012-03-23
Last modified:	2021-03-01
Release date:	2013-03-27
Identifier:	N-{(1S)-3-[(5S)-5-tert-butyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1-ethoxy-1-oxido-1,4-dihydro-2,4,1-benzodiazaphosphinin-7-yl}methanesulfonamide

0OD

0OD
Name:	trichloro{(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]cyclopentadienyl}rhodium(1+)
Formula:	C21 H32 Cl3 N3 O2 Rh S
SMILES:	O=C1NC2C(SCC2N1)CCCCC(=O)NCCc37c4(C)c5(C)c6(C)C3(C)[Rh+]4567(Cl)(Cl)Cl
InChi:	InChI=1S/C21H32N3O2S.3ClH.Rh/c1-12-13(2)15(4)16(14(12)3)9-10-22-19(25)8-6-5-7-18-20-17(11-27-18)23-21(26)24-20
Synonyms:	[Cp*(Biot-methylene)RhCl(H2O)2]+
Definition date:	2012-08-21
Last modified:	2021-03-01
Release date:	2013-02-08
Identifier:	trichloro{(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]cyclopentadienyl}rhodium(1+)

0OM

0OM
Name:	benzyl pyridine-3-carboxylate
Formula:	C13 H11 N O2
SMILES:	O=C(OCc1ccccc1)c2cccnc2
InChi:	InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2
Synonyms:	Benzyl nicotinate
Definition date:	2012-04-03
Last modified:	2021-03-01
Release date:	2012-11-30
Identifier:	benzyl pyridine-3-carboxylate

0ON

0ON
Name:	N-phenylpyridine-3-carboxamide
Formula:	C12 H10 N2 O
SMILES:	O=C(Nc1ccccc1)c2cccnc2
InChi:	InChI=1S/C12H10N2O/c15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11/h1-9H,(H,14,15)
Synonyms:	N-phenylnicotinamide
Definition date:	2012-04-03
Last modified:	2021-03-01
Release date:	2012-11-30
Identifier:	N-phenylpyridine-3-carboxamide

0PJ

0PJ
Name:	N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-leucine
Formula:	C21 H34 N3 O7 P
SMILES:	O=C(O)C(NC(=O)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C)CC(C)C
InChi:	InChI=1S/C21H34N3O7P/c1-14(2)10-17(19(25)23-18(20(26)27)11-15(3)4)24-32(29,30)13-22-21(28)31-12-16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3,(H,22,28)(H,23,25)(H,26,27)(H2,24,29,30)/t17-,18-/m0/s1
Synonyms:	ZGPLL
Definition date:	2008-09-14
Last modified:	2021-03-01
Identifier:	N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-leucine

0PK

0PK
Name:	N-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-L-leucyl-L-alanine
Formula:	C25 H34 N3 O7 P
SMILES:	O=C(O)C(NC(=O)C(NP(=O)(O)C(NC(=O)OCc1ccccc1)Cc2ccccc2)CC(C)C)C
InChi:	InChI=1S/C25H34N3O7P/c1-17(2)14-21(23(29)26-18(3)24(30)31)28-36(33,34)22(15-19-10-6-4-7-11-19)27-25(32)35-16-20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3,(H,26,29)(H,27,32)(H,30,31)(H2,28,33,34)/t18-,21-,22+/m0/s1
Synonyms:	ZFPLA
Definition date:	2008-09-14
Last modified:	2021-03-01
Identifier:	N-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-L-leucyl-L-alanine

0PR

0PR
Name:	N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-tyrosine
Formula:	C17 H21 N2 O8 P
SMILES:	O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)Cc2ccc(O)cc2
InChi:	InChI=1S/C17H21N2O8P/c1-10-16(21)14(12(7-18-10)9-27-28(24,25)26)8-19-15(17(22)23)6-11-2-4-13(20)5-3-11/h2-5,7,15,19-21H,6,8-9H2,1H3,(H,22,23)(H2,24,25,26)/t15-/m0/s1
Synonyms:	PHOSPHO-5'-PYRIDOXYL TYROSINE
Definition date:	2008-11-10
Last modified:	2021-03-01
Release date:	2018-09-19
Identifier:	N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-tyrosine

S80

S80
Name:	N1-HYDROXY-2-(3-HYDROXY-PROPYL)-3-ISOBUTYL-N4-[1-(2-METHOXY-ETHYL)-2-OXO-AZEPAN-3-YL]-SUCCINAMIDE
Formula:	C20 H37 N3 O6
SMILES:	O=C(NO)C(CCCO)C(C(=O)NC1C(=O)N(CCOC)CCCC1)CC(C)C
InChi:	InChI=1S/C20H37N3O6/c1-14(2)13-16(15(7-6-11-24)19(26)22-28)18(25)21-17-8-4-5-9-23(20(17)27)10-12-29-3/h14-17,24,28H,4-13H2,1-3H3,(H,21,25)(H,22,26)/t15-,16+,17-/m0/s1
Synonyms:	A DISUBSTITUTED SUCCINYL CAPROLACTAM HYDROXYMATE MMP3 INHIBITOR
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	(2S,3R)-N~1~-hydroxy-2-(3-hydroxypropyl)-N~4~-[(3S)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-3-(2-methylpropyl)butanediamide

0Q4

0Q4
Name:	N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide
Formula:	C40 H70 N11 O8
SMILES:	O=C(N)C(NC(=O)C(NC(=O)C(NC(=O)C(NCC(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)C(C)C)CC(C)C)Cc1ccccc1)CCC(=O)O)C)CCCC
InChi:	InChI=1S/C40H69N11O8/c1-7-8-16-29(34(42)54)49-35(55)25(6)47-37(57)30(17-18-32(52)53)50-38(58)31(21-26-13-10-9-11-14-26)46-22-27(20-23(2)3)48-39(59)33(24(4)5)51-36(56)28(41)15-12-19-45-40(43)44/h9-11,13-14,23-25,27-31,33,46H,7-8,12,15-22,41H2,1-6H3,(H2,42,54)(H,47,57)(H,48,59)(H,49,55)(H,50,58)(H,51,56)(H,52,53)(H4,43,44,45)/p+1/t25-,27-,28-,29-,30-,31-,33-/m0/s1
Synonyms:	Inhibitor analogues of CA-p2
Definition date:	2008-09-14
Last modified:	2021-03-01
Identifier:	N-[(2S)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide

0QB

0QB
Name:	(2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-{(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-2-[(3R)-1,5,5-trimethyl-2-oxopyrrolidin-3-yl]ethyl}-N~4~-[2-(dimethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide
Formula:	C36 H54 N6 O5 S
SMILES:	O=C1N(C)C(C)(C)CC1C(O)C(NC(=O)C(Cc2nc(sc2)N)CC(=O)N(CC(=O)N(C)C)C(c3ccccc3)C)CC4CCCCC4
InChi:	InChI=1S/C36H54N6O5S/c1-23(25-15-11-8-12-16-25)42(21-31(44)40(4)5)30(43)19-26(18-27-22-48-35(37)38-27)33(46)39-29(17-24-13-9-7-10-14-24)32(45)28-20-36(2,3)41(6)34(28)47/h8,11-12,15-16,22-24,26,28-29,32,45H,7,9-10,13-14,17-21H2,1-6H3,(H2,37,38)(H,39,46)/t23-,26+,28-,29-,32-/m0/s1
Synonyms:	P2-P3 butanediamide renin inhibitor (3)
Definition date:	2008-11-12
Last modified:	2021-03-01
Identifier:	(2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-{(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-2-[(3R)-1,5,5-trimethyl-2-oxopyrrolidin-3-yl]ethyl}-N~4~-[2-(dimethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide

S8F

S8F
Name:	3-(3-fluorophenyl)-N-{[2-(1H-imidazol-1-yl)pyrimidin-4-yl]methyl}propan-1-amine
Formula:	C17 H18 F N5
SMILES:	Fc1cccc(c1)CCCNCc2nc(ncc2)n3ccnc3
InChi:	InChI=1S/C17H18FN5/c18-15-5-1-3-14(11-15)4-2-7-19-12-16-6-8-21-17(22-16)23-10-9-20-13-23/h1,3,5-6,8-11,13,19H,2,4,7,12H2
Synonyms:	N-(2-(1H-IMIDAZOL-1-YL)-4-PYRIMIDYLMETHYL)-3-(3-FLUOROPHENYL)PROPAN-1-AMINE
Definition date:	2014-10-21
Last modified:	2021-03-01
Release date:	2014-12-24
Identifier:	3-(3-fluorophenyl)-N-{[2-(1H-imidazol-1-yl)pyrimidin-4-yl]methyl}propan-1-amine

S91

S91
Name:	[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID
Formula:	C20 H19 N5 O3
SMILES:	O=C(O)Cc1ccc(cc1)Nc2nc(c(cn2)C(=O)N)Nc3cc(ccc3)C
InChi:	InChI=1S/C20H19N5O3/c1-12-3-2-4-15(9-12)23-19-16(18(21)28)11-22-20(25-19)24-14-7-5-13(6-8-14)10-17(26)27/h2-9,11H,10H2,1H3,(H2,21,28)(H,26,27)(H2,22,23,24,25)
Synonyms:	(4-{[5-CARBAMOYL-4-(3-METHYLANILINO)PYRIMIDIN-2-YL]AMINO}PHENYL)ACETIC ACID
Definition date:	2005-03-22
Last modified:	2021-03-01
Identifier:	[4-({5-carbamoyl-4-[(3-methylphenyl)amino]pyrimidin-2-yl}amino)phenyl]acetic acid

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