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31B

31B
Name:	benzoyl-oxydephosphocoenzyme A
Formula:	C28 H39 N7 O15 P2
SMILES:	O=C(OCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC3OC(c2nc1c(ncnc1n2)N)C(O)C3O)O)O)c4ccccc4
InChi:	InChI=1S/C28H39N7O15P2/c1-28(2,22(39)26(40)31-9-8-17(36)30-10-11-46-27(41)15-6-4-3-5-7-15)13-48-52(44,45)50-51(42,43)47-12-16-19(37)20(38)21(49-16)25-34-18-23(29)32-14-33-24(18)35-25/h3-7,14,16,19-22,37-39H,8-13H2,1-2H3,(H,30,36)(H,31,40)(H,42,43)(H,44,45)(H3,29,32,33,34,35)/t16-,19+,20+,21-,22-/m0/s1
Synonyms:	benzoyl-OdCoA
Definition date:	2014-05-15
Last modified:	2020-06-17
Release date:	2015-05-13
Identifier:	(3S,5S,9R)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-8-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl benzoate (non-preferred name)

31I

31I
Name:	(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(propan-2-yl)phthalazin-2(1H)-yl]prop-2-en -1-one
Formula:	C27 H30 N6 O3
SMILES:	O=C(C=Cc1cc(cc(OC)c1OC)Cc2cnc(nc2N)N)N4N=Cc3ccccc3C4C(C)C
InChi:	InChI=1S/C27H30N6O3/c1-16(2)24-21-8-6-5-7-19(21)15-31-33(24)23(34)10-9-18-11-17(13-22(35-3)25(18)36-4)12-20-14-30-27(29)32-26(20)28/h5-11,13-16,24H,12H2,1-4H3,(H4,28,29,30,32)/b10-9+/t24-/m0/s1
Synonyms:	(S,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-isopropylphthalazin-2(1H)-yl)prop-2-en-1-one
Definition date:	2012-04-17
Last modified:	2020-06-17
Release date:	2013-02-08
Identifier:	(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(propan-2-yl)phthalazin-2(1H)-yl]prop-2-en-1-one

31S

31S
Name:	(2Z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid
Formula:	C23 H19 Cl O2
SMILES:	Clc1ccc(cc1)CCC(c3ccc(c2ccccc2)cc3)=CC(=O)O
InChi:	InChI=1S/C23H19ClO2/c24-22-14-7-17(8-15-22)6-9-21(16-23(25)26)20-12-10-19(11-13-20)18-4-2-1-3-5-18/h1-5,7-8,10-16H,6,9H2,(H,25,26)/b21-16-
Synonyms:	PS315
Definition date:	2014-03-11
Last modified:	2020-06-17
Release date:	2014-05-28
Identifier:	(2Z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid

326

326
Name:	2-{(E)-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFOPHENYL)-1H-PYRAZOL-4-YL]DIAZENYL}-4-SULFOBENZOIC ACID
Formula:	C18 H16 N4 O9 S2
SMILES:	O=S(=O)(O)c3cc(/N=N/c2c(nn(c1c(cc(cc1)S(=O)(=O)O)C)c2O)C)c(C(=O)O)cc3
InChi:	InChI=1S/C18H16N4O9S2/c1-9-7-11(32(26,27)28)4-6-15(9)22-17(23)16(10(2)21-22)20-19-14-8-12(33(29,30)31)3-5-13(14)18(24)25/h3-8,23H,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31)/b20-19+
Synonyms:	2-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFO-PHENYL)-1H-PYRAZOL-4-YLAZO]-4-SULFO-BENZOIC ACID
Definition date:	2004-06-17
Last modified:	2020-06-17
Identifier:	2-{(E)-[5-hydroxy-3-methyl-1-(2-methyl-4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl}-4-sulfobenzoic acid

KPS

KPS
Name:	pseudouridine 5'-phosphate, linear
Formula:	C9 H15 N2 O9 P
SMILES:	O=C1C(=CNC(=O)N1)CC(O)C(O)C(O)COP(=O)(O)O
InChi:	InChI=1S/C9H15N2O9P/c12-5(1-4-2-10-9(16)11-8(4)15)7(14)6(13)3-20-21(17,18)19/h2,5-7,12-14H,1,3H2,(H2,17,18,19)(H2,10,11,15,16)/t5-,6+,7-/m0/s1
Synonyms:	1-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol
Definition date:	2012-08-16
Last modified:	2020-06-17
Release date:	2012-10-26
Identifier:	1-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol

KPV

KPV
Name:	5-PHENYL-2-KETO-VALERIC ACID
Formula:	C11 H12 O3
SMILES:	O=C(O)C(=O)CCCc1ccccc1
InChi:	InChI=1S/C11H12O3/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14)
Synonyms:	2-OXO-5-PHENYLPENTANOIC ACID
Definition date:	2007-06-19
Last modified:	2020-06-17
Identifier:	2-oxo-5-phenylpentanoic acid

32M

32M
Name:	3,6,9,12,15,18-hexaoxahexacosan-1-ol
Formula:	C20 H42 O7
SMILES:	O(CCOCCCCCCCC)CCOCCOCCOCCOCCO
InChi:	InChI=1S/C20H42O7/c1-2-3-4-5-6-7-9-22-11-13-24-15-17-26-19-20-27-18-16-25-14-12-23-10-8-21/h21H,2-20H2,1H3
Synonyms:	HEXAETHYLENE GLYCOL MONOOCTYL ETHER
Definition date:	2014-05-27
Last modified:	2020-06-17
Release date:	2015-09-09
Identifier:	3,6,9,12,15,18-hexaoxahexacosan-1-ol

KQ7

KQ7
Name:	N-(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)-6-({2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}amino)py ridine-3-carboxamide
Formula:	C30 H37 N7 O3
SMILES:	CN1CCC[CH]1CCNc2ccc(cn2)C(=O)Nc3cc(NC(=O)c4ccnc(c4)N5CCOCC5)ccc3C
InChi:	InChI=1S/C30H37N7O3/c1-21-5-7-24(34-29(38)22-9-11-32-28(18-22)37-14-16-40-17-15-37)19-26(21)35-30(39)23-6-8-27(33-20-23)31-12-10-25-4-3-13-36(25)2/h5-9,11,18-20,25H,3-4,10,12-17H2,1-2H3,(H,31,33)(H,34,38)(H,35,39)/t25-/m0/s1
Synonyms:	N-[4-methyl-3-(6-{[2-(1-methylpyrrolidin-2-yl)ethyl]amino}pyridine-3-amido)phenyl]-2-(morpholin-4-yl)pyridine-4-carboxa mide
Definition date:	2009-11-18
Last modified:	2020-06-17
Identifier:	N-[4-methyl-3-[[6-[2-[(1R,2S)-1-methylpyrrolidin-2-yl]ethylamino]pyridin-3-yl]carbonylamino]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide

KQD

KQD
Name:	(3S,4S,3'S,4'S)-1,1'-(1,4-phenylenedicarbonyl)bis{N~3~,N~4~-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxami de}
Formula:	C56 H56 N6 O6
SMILES:	C(=O)(c1ccc(cc1)C(N6CC(C(=O)NC2CC2c3ccccc3)C(C(=O)NC4CC4c5ccccc5)C6)=O)N9CC(C(=O)NC7CC7c8ccccc8)C(C9)C(=O)NC%10CC%10c%11ccccc%11
InChi:	InChI=1S/C56H56N6O6/c63-51(57-47-25-39(47)33-13-5-1-6-14-33)43-29-61(30-44(43)52(64)58-48-26-40(48)34-15-7-2-8-16-34)55(67)37-21-23-38(24-22-37)56(68)62-31-45(53(65)59-49-27-41(49)35-17-9-3-10-18-35)46(32-62)54(66)60-50-28-42(50)36-19-11-4-12-20-36/h1-24,39-50H,25-32H2,(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49+,50+/m1/s1
Synonyms:	Diprovocim
Definition date:	2019-01-03
Last modified:	2020-06-17
Release date:	2019-04-17
Identifier:	(3S,4S,3'S,4'S)-1,1'-(1,4-phenylenedicarbonyl)bis{N~3~,N~4~-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide}

KR2

KR2
Name:	(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE
Formula:	C22 H24 F3 N3 O2
SMILES:	O=C(N2N(C(=O)c1ccccc1)CCCCC2)CC(N)Cc3cc(F)c(F)cc3F
InChi:	InChI=1S/C22H24F3N3O2/c23-18-14-20(25)19(24)12-16(18)11-17(26)13-21(29)27-9-5-2-6-10-28(27)22(30)15-7-3-1-4-8-15/h1,3-4,7-8,12,14,17H,2,5-6,9-11,13,26H2/t17-/m1/s1
Synonyms:	(R)-3-AMINO-1-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-(2,4,5-TRIFLUOROPHENYL)BUTAN-1-ONE
Definition date:	2007-01-24
Last modified:	2020-06-17
Identifier:	(2R)-4-oxo-4-[2-(phenylcarbonyl)-1,2-diazepan-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine

33L

33L
Name:	N-(2-aminoethyl)-Nalpha-benzoyl-L-phenylalaninamide
Formula:	C18 H21 N3 O2
SMILES:	O=C(NCCN)C(NC(=O)c1ccccc1)Cc2ccccc2
InChi:	InChI=1S/C18H21N3O2/c19-11-12-20-18(23)16(13-14-7-3-1-4-8-14)21-17(22)15-9-5-2-6-10-15/h1-10,16H,11-13,19H2,(H,20,23)(H,21,22)/t16-/m0/s1
Synonyms:	Nalpha-benzoyl-N-[(2Z)-2-iminoethyl]-L-phenylalaninamide, bound form
Definition date:	2014-06-10
Last modified:	2020-06-17
Release date:	2015-08-05
Identifier:	N-(2-aminoethyl)-Nalpha-benzoyl-L-phenylalaninamide

346

346
Name:	(R)-(4-CARBAMIMIDOYL-PHENYLAMINO)-[5-ETHOXY-2-FLUORO-3-[(R)-TETRAHYDRO-FURAN-3-YLOXY]-PHENYL]-ACETIC ACID
Formula:	C21 H24 F N3 O5
SMILES:	O=C(O)C(c2c(F)c(OC1CCOC1)cc(OCC)c2)Nc3ccc(C(=[N@H])N)cc3
InChi:	InChI=1S/C21H24FN3O5/c1-2-29-15-9-16(18(22)17(10-15)30-14-7-8-28-11-14)19(21(26)27)25-13-5-3-12(4-6-13)20(23)24/h3-6,9-10,14,19,25H,2,7-8,11H2,1H3,(H3,23,24)(H,26,27)/t14-,19-/m1/s1
Synonyms:	(2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){5-ETHOXY-2-FLUORO-3-[(3R)-TETRAHYDROFURAN-3-YLOXY]PHENYL}ACETIC ACID
Definition date:	2005-08-11
Last modified:	2020-06-17
Identifier:	(2R)-[(4-carbamimidoylphenyl)amino]{5-ethoxy-2-fluoro-3-[(3R)-tetrahydrofuran-3-yloxy]phenyl}ethanoic acid

KRS

KRS
Name:	cladosporin
Formula:	C16 H20 O5
SMILES:	O=C3OC(CC1OC(CCC1)C)Cc2cc(O)cc(O)c23
InChi:	InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13+/m0/s1
Synonyms:	(3R)-3-[[(2R,6S)-6-methyloxan-2-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one
Definition date:	2014-02-08
Last modified:	2020-06-17
Release date:	2014-07-16
Identifier:	(3R)-6,8-dihydroxy-3-{[(2R,6S)-6-methyltetrahydro-2H-pyran-2-yl]methyl}-3,4-dihydro-1H-isochromen-1-one

34G

34G
Name:	emetine
Formula:	C29 H40 N2 O4
SMILES:	O(c1cc2c(cc1OC)C(NCC2)CC5CC4c3c(cc(OC)c(OC)c3)CCN4CC5CC)C
InChi:	InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m1/s1
Synonyms:	(3beta,14beta)-6',7',10,11-tetramethoxyemetan
Definition date:	2014-06-16
Last modified:	2020-06-17
Release date:	2014-07-16
Identifier:	(3beta,14beta)-6',7',10,11-tetramethoxyemetan

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

75D

75D
Name:	2,4,6-tri(propan-2-yl)benzenesulfonic acid
Formula:	C15 H24 O3 S
SMILES:	O=S(=O)(O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
InChi:	InChI=1S/C15H24O3S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,16,17,18)
Synonyms:	2,4,6-triisopropylbenzenesulfonic acid
Definition date:	2013-12-13
Last modified:	2020-06-17
Release date:	2014-11-19
Identifier:	2,4,6-tri(propan-2-yl)benzenesulfonic acid

75U

75U
Name:	ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
Formula:	C22 H25 Br N2 O3 S
SMILES:	c1(CN(C)C)c(O)c(cc2c1c(C(OCC)=O)c(n2C)CSc3ccccc3)Br
InChi:	InChI=1S/C22H25BrN2O3S/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3
Synonyms:	Arbidol
Definition date:	2016-09-02
Last modified:	2020-06-17
Release date:	2017-01-04
Identifier:	ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate

762

762
Name:	3-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE
Formula:	C20 H15 Cl N4 O
SMILES:	[O-]c4c(c1ccccc1)cccc4c3nc2cc(c(Cl)cc2n3)C(=[NH2+])N
InChi:	InChI=1S/C20H15ClN4O/c21-15-10-17-16(9-14(15)19(22)23)24-20(25-17)13-8-4-7-12(18(13)26)11-5-2-1-3-6-11/h1-10,26H,(H3,22,23)(H,24,25)
Synonyms:	CRA_10762
Definition date:	2003-03-14
Last modified:	2020-06-17
Identifier:	3-{5-[amino(iminio)methyl]-6-chloro-1H-benzimidazol-2-yl}biphenyl-2-olate

766

766
Name:	5-(4-fluorophenyl)-2,3-dihydroxy-N-(4-thieno[3,2-c]pyridin-2-ylbutyl)benzamide
Formula:	C24 H21 F N2 O3 S
SMILES:	N(CCCCc1sc2c(c1)cncc2)C(c3c(c(cc(c3)c4ccc(cc4)F)O)O)=O
InChi:	InChI=1S/C24H21FN2O3S/c25-18-6-4-15(5-7-18)16-12-20(23(29)21(28)13-16)24(30)27-9-2-1-3-19-11-17-14-26-10-8-22(17)31-19/h4-8,10-14,28-29H,1-3,9H2,(H,27,30)
Synonyms:	4'-fluoro-4,5-dihydroxy-N-[4-(thieno[3,2-c]pyridin-2-yl)butyl][1,1'-biphenyl]-3-carboxamide
Definition date:	2016-09-02
Last modified:	2020-06-17
Release date:	2017-08-30
Identifier:	4'-fluoro-4,5-dihydroxy-N-[4-(thieno[3,2-c]pyridin-2-yl)butyl][1,1'-biphenyl]-3-carboxamide

76A

76A
Name:	3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL)-1,4-DIHYDROINDENO[1,2-C]PYRAZOLE-6-CARBOXAMIDE
Formula:	C29 H27 N3 O3
SMILES:	O=C(NC1CCC(O)CC1)c2cc6c(cc2)c3c(c(nn3)c5ccc(c4ccc(O)cc4)cc5)C6
InChi:	InChI=1S/C29H27N3O3/c33-23-10-5-18(6-11-23)17-1-3-19(4-2-17)27-26-16-21-15-20(7-14-25(21)28(26)32-31-27)29(35)30-22-8-12-24(34)13-9-22/h1-7,10-11,14-15,22,24,33-34H,8-9,12-13,16H2,(H,30,35)(H,31,32)/t22-,24-
Synonyms:	3-(4'-HYDROXY-BIPHENYL-4-YL)-1,4-DIHYDRO-INDENO[1,2-C]PYRAZOLE-6-CARBOXYLIC ACID (4-HYDROXY-CYCLOHEXYL)-AMIDE
Definition date:	2007-01-31
Last modified:	2020-06-17
Identifier:	3-(4'-hydroxybiphenyl-4-yl)-N-(trans-4-hydroxycyclohexyl)-1,4-dihydroindeno[1,2-c]pyrazole-6-carboxamide

KTP

KTP
Name:	(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID
Formula:	C22 H17 O4 P
SMILES:	O=C(c2cc1ccccc1cc2)C(c4cccc3ccccc34)P(=O)(O)O
InChi:	InChI=1S/C22H17O4P/c23-21(18-13-12-15-6-1-2-8-17(15)14-18)22(27(24,25)26)20-11-5-9-16-7-3-4-10-19(16)20/h1-14,22H,(H2,24,25,26)/t22-/m1/s1
Synonyms:	BIS-NAPTHYL BETA-KETOPHOSPHONIC ACID
Definition date:	2002-02-14
Last modified:	2020-06-17
Identifier:	[(1R)-1-naphthalen-1-yl-2-naphthalen-2-yl-2-oxoethyl]phosphonic acid

76D

76D
Name:	2,4,6-tri(propan-2-yl)benzoic acid
Formula:	C16 H24 O2
SMILES:	O=C(O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
InChi:	InChI=1S/C16H24O2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,17,18)
Synonyms:	2,4,6-triisopropylbenzoic acid
Definition date:	2013-12-13
Last modified:	2020-06-17
Release date:	2014-11-19
Identifier:	2,4,6-tri(propan-2-yl)benzoic acid

KTR

KTR
Name:	(1R)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
Formula:	C15 H13 N O3
SMILES:	O=C(O)C3c2ccc(C(=O)c1ccccc1)n2CC3
InChi:	InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)/t11-/m1/s1
Synonyms:	Ketorolac
Definition date:	2012-08-30
Last modified:	2020-06-17
Release date:	2012-09-14
Identifier:	(1R)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

KU2

KU2
Name:	2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4 -carboxamide
Formula:	C25 H25 Cl N4 O5 S
SMILES:	C(CSc1c(cccc1)Cl)(N4C(C=3NC(C(=C(C(=O)NCCOc2ccccc2)N=3)O)=O)CCC4)=O
InChi:	InChI=1S/C25H25ClN4O5S/c26-17-9-4-5-11-19(17)36-15-20(31)30-13-6-10-18(30)23-28-21(22(32)25(34)29-23)24(33)27-12-14-35-16-7-2-1-3-8-16/h1-5,7-9,11,18,32H,6,10,12-15H2,(H,27,33)(H,28,29,34)/t18-/m0/s1
Synonyms:	SRI-30023
Definition date:	2017-06-27
Last modified:	2020-06-17
Release date:	2017-12-27
Identifier:	2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide

KU3

KU3
Name:	(5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone
Formula:	C19 H17 F N2 O3
SMILES:	CC(C)c3cc(C(N1Cc2c(C1)ccc(c2)F)=O)c(O)c4c3onc4
InChi:	InChI=1S/C19H17FN2O3/c1-10(2)14-6-15(17(23)16-7-21-25-18(14)16)19(24)22-8-11-3-4-13(20)5-12(11)9-22/h3-7,10,23H,8-9H2,1-2H3
Synonyms:	(5-fluoro-1,3-dihydro-2H-isoindol-2-yl)[4-hydroxy-7-(propan-2-yl)-1,2-benzoxazol-5-yl]methanone
Definition date:	2017-01-10
Last modified:	2020-06-17
Release date:	2018-01-10
Identifier:	(5-fluoro-1,3-dihydro-2H-isoindol-2-yl)[4-hydroxy-7-(propan-2-yl)-1,2-benzoxazol-5-yl]methanone

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