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VNY

VNY
Name:	PARA-BIPHENYL METHYLENE C-LINKED MANNOSIDE
Formula:	C21 H24 O5
SMILES:	CC(=C[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)c2ccc(cc2)c3ccccc3
InChi:	InChI=1S/C21H24O5/c1-13(11-17-19(23)21(25)20(24)18(12-22)26-17)14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-11,17-25H,12H2,1H3/b13-11+/t17-,18-,19-,20-,21-/m1/s1
Definition date:	2015-07-27
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-2-(4-phenylphenyl)prop-1-enyl]oxane-3,4,5-triol

5M7

5M7
Name:	6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid
Formula:	C21 H19 Cl N2 O2
SMILES:	OC(=O)c1c(nc2ccc(Cl)cc2c1c3ccccc3)N4CCCCC4
InChi:	InChI=1S/C21H19ClN2O2/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21(25)26)20(23-17)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,25,26)
Definition date:	2015-10-22
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid

5M8

5M8
Name:	6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid
Formula:	C17 H12 Cl N O2
SMILES:	Cc1nc2ccc(Cl)cc2c(c3ccccc3)c1C(O)=O
InChi:	InChI=1S/C17H12ClNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21)
Definition date:	2015-10-22
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid

47P

47P
Name:	2-({[(1S)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3H)-one
Formula:	C15 H19 N3 O
SMILES:	O=C1c3ccccc3N=C(N1)CN(C(C)C2CC2)C
InChi:	InChI=1S/C15H19N3O/c1-10(11-7-8-11)18(2)9-14-16-13-6-4-3-5-12(13)15(19)17-14/h3-6,10-11H,7-9H2,1-2H3,(H,16,17,19)/t10-/m0/s1
Definition date:	2015-02-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	2-({[(1S)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3H)-one

4AO

4AO
Name:	2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine
Formula:	C12 H15 N5 O
SMILES:	n2c1c(cccc1C)c(OCC)nc2N=C(/N)N
InChi:	InChI=1S/C12H15N5O/c1-3-18-10-8-6-4-5-7(2)9(8)15-12(16-10)17-11(13)14/h4-6H,3H2,1-2H3,(H4,13,14,15,16,17)
Definition date:	2015-02-20
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine

9CQ

9CQ
Name:	2-[4-(2-AMINOQUINAZOLIN-4-YL)PHENYL]-N,N-DIMETHYL-ACETAMIDE
Formula:	C18 H18 N4 O
SMILES:	CN(C)C(=O)Cc1ccc(cc1)c2nc(N)nc3ccccc23
InChi:	InChI=1S/C18H18N4O/c1-22(2)16(23)11-12-7-9-13(10-8-12)17-14-5-3-4-6-15(14)20-18(19)21-17/h3-10H,11H2,1-2H3,(H2,19,20,21)
Definition date:	2015-09-08
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	2-[4-(2-azanylquinazolin-4-yl)phenyl]-N,N-dimethyl-ethanamide

7F1

7F1
Name:	(2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide
Formula:	C36 H46 N6 O6 S
SMILES:	CC(C)C[CH](NC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)CN3CCOCC3)C(=O)N[CH](Cc4c[nH]c5ccccc45)C=C[S](C)(=O)=O
InChi:	InChI=1S/C36H46N6O6S/c1-24(2)18-32(35(44)39-27(12-17-49(3,46)47)19-25-21-37-30-10-6-4-8-28(25)30)41-36(45)33(40-34(43)23-42-13-15-48-16-14-42)20-26-22-38-31-11-7-5-9-29(26)31/h4-12,17,21-22,24,27,32-33,37-38H,13-16,18-20,23H2,1-3H3,(H,39,44)(H,40,43)(H,41,45)/t27-,32+,33+/m1/s1
Definition date:	2015-11-04
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	(2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide

RGJ

RGJ
Name:	4-(4-CHLORO-2-FLUORO-ANILINO)-6,7-DIMETHOXY-N-METHYL-QUINOLINE-3-CARBOXAMIDE
Formula:	C19 H17 Cl F N3 O3
SMILES:	CNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc3ccc(Cl)cc3F
InChi:	InChI=1S/C19H17ClFN3O3/c1-22-19(25)12-9-23-15-8-17(27-3)16(26-2)7-11(15)18(12)24-14-5-4-10(20)6-13(14)21/h4-9H,1-3H3,(H,22,25)(H,23,24)
Definition date:	2015-09-08
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	4-[(4-chloranyl-2-fluoranyl-phenyl)amino]-6,7-dimethoxy-N-methyl-quinoline-3-carboxamide

5QH

5QH
Name:	~{N}-[(2~{S})-3-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-propyl]-3-pyridin-2-yl-benzamide
Formula:	C24 H25 N3 O2
SMILES:	O[CH](CNC(=O)c1cccc(c1)c2ccccn2)CN3CCc4ccccc4C3
InChi:	InChI=1S/C24H25N3O2/c28-22(17-27-13-11-18-6-1-2-7-21(18)16-27)15-26-24(29)20-9-5-8-19(14-20)23-10-3-4-12-25-23/h1-10,12,14,22,28H,11,13,15-17H2,(H,26,29)/t22-/m0/s1
Definition date:	2015-11-10
Last modified:	2016-02-19
Release date:	2016-02-24
Identifier:	~{N}-[(2~{S})-3-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-propyl]-3-pyridin-2-yl-benzamide

5QJ

5QJ
Name:	(2~{S})-1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyridin-2-yl]amino]propan-2-ol
Formula:	C25 H27 N5 O
SMILES:	Cn1cnc2ccc(cc12)c3ccnc(NC[CH](O)CN4CCc5ccccc5C4)c3
InChi:	InChI=1S/C25H27N5O/c1-29-17-28-23-7-6-19(12-24(23)29)20-8-10-26-25(13-20)27-14-22(31)16-30-11-9-18-4-2-3-5-21(18)15-30/h2-8,10,12-13,17,22,31H,9,11,14-16H2,1H3,(H,26,27)/t22-/m0/s1
Definition date:	2015-11-10
Last modified:	2016-02-19
Release date:	2016-02-24
Identifier:	(2~{S})-1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyridin-2-yl]amino]propan-2-ol

5QK

5QK
Name:	~{N}-[(2~{R})-3-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-propyl]-2-quinolin-8-yloxy-ethanamide
Formula:	C23 H25 N3 O3
SMILES:	O[CH](CNC(=O)COc1cccc2cccnc12)CN3CCc4ccccc4C3
InChi:	InChI=1S/C23H25N3O3/c27-20(15-26-12-10-17-5-1-2-6-19(17)14-26)13-25-22(28)16-29-21-9-3-7-18-8-4-11-24-23(18)21/h1-9,11,20,27H,10,12-16H2,(H,25,28)/t20-/m1/s1
Definition date:	2015-11-10
Last modified:	2016-02-19
Release date:	2016-02-24
Identifier:	~{N}-[(2~{R})-3-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-propyl]-2-quinolin-8-yloxy-ethanamide

5QL

5QL
Name:	~{N}-[(2~{S})-3-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-propyl]-3-(oxan-4-ylamino)benzamide
Formula:	C24 H31 N3 O3
SMILES:	O[CH](CNC(=O)c1cccc(NC2CCOCC2)c1)CN3CCc4ccccc4C3
InChi:	InChI=1S/C24H31N3O3/c28-23(17-27-11-8-18-4-1-2-5-20(18)16-27)15-25-24(29)19-6-3-7-22(14-19)26-21-9-12-30-13-10-21/h1-7,14,21,23,26,28H,8-13,15-17H2,(H,25,29)/t23-/m0/s1
Definition date:	2015-11-10
Last modified:	2016-02-19
Release date:	2016-02-24
Identifier:	~{N}-[(2~{S})-3-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-propyl]-3-(oxan-4-ylamino)benzamide

5T7

5T7
Name:	(1~{R},2~{R})-2-[(4~{R})-2-azanyl-5,5-bis(fluoranyl)-4-methyl-6~{H}-1,3-oxazin-4-yl]-~{N}-(3-chloranylquinolin-8-yl)cyclopropane-1-carboxamide
Formula:	C18 H17 Cl F2 N4 O2
SMILES:	C[C]1(N=C(N)OCC1(F)F)[CH]2C[CH]2C(=O)Nc3cccc4cc(Cl)cnc34
InChi:	InChI=1S/C18H17ClF2N4O2/c1-17(18(20,21)8-27-16(22)25-17)12-6-11(12)15(26)24-13-4-2-3-9-5-10(19)7-23-14(9)13/h2-5,7,11-12H,6,8H2,1H3,(H2,22,25)(H,24,26)/t11-,12-,17-/m1/s1
Definition date:	2015-11-27
Last modified:	2016-02-19
Release date:	2016-02-24
Identifier:	(1~{R},2~{R})-2-[(4~{R})-2-azanyl-5,5-bis(fluoranyl)-4-methyl-6~{H}-1,3-oxazin-4-yl]-~{N}-(3-chloranylquinolin-8-yl)cyclopropane-1-carboxamide

5T8

5T8
Name:	(5~{R})-5-[3-[(3-chloranylquinolin-8-yl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
Formula:	C20 H19 Cl N4 O
SMILES:	C[C]1(COCC(=N1)N)c2cccc(Nc3cccc4cc(Cl)cnc34)c2
InChi:	InChI=1S/C20H19ClN4O/c1-20(12-26-11-18(22)25-20)14-5-3-6-16(9-14)24-17-7-2-4-13-8-15(21)10-23-19(13)17/h2-10,24H,11-12H2,1H3,(H2,22,25)/t20-/m0/s1
Definition date:	2015-11-27
Last modified:	2016-02-19
Release date:	2016-02-24
Identifier:	(5~{R})-5-[3-[(3-chloranylquinolin-8-yl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine

45V

45V
Name:	2-[(1S)-2-acetyl-1,2-dihydroisoquinolin-1-yl]-N,N-dimethylacetamide
Formula:	C15 H18 N2 O2
SMILES:	O=C(N(C)C)CC1c2ccccc2C=CN1C(=O)C
InChi:	InChI=1S/C15H18N2O2/c1-11(18)17-9-8-12-6-4-5-7-13(12)14(17)10-15(19)16(2)3/h4-9,14H,10H2,1-3H3/t14-/m0/s1
Definition date:	2015-02-10
Last modified:	2016-02-12
Release date:	2016-02-17
Identifier:	2-[(1S)-2-acetyl-1,2-dihydroisoquinolin-1-yl]-N,N-dimethylacetamide

46Q

46Q
Name:	(2R)-2-methyl-2-(morpholin-4-yl)butan-1-amine
Formula:	C9 H20 N2 O
SMILES:	O1CCN(C(CN)(C)CC)CC1
InChi:	InChI=1S/C9H20N2O/c1-3-9(2,8-10)11-4-6-12-7-5-11/h3-8,10H2,1-2H3/t9-/m1/s1
Definition date:	2015-02-11
Last modified:	2016-02-12
Release date:	2016-02-17
Identifier:	(2R)-2-methyl-2-(morpholin-4-yl)butan-1-amine

46Y

46Y
Name:	4,6-dimethyl-2-{[3-(morpholin-4-yl)propyl]amino}pyridine-3-carbonitrile
Formula:	C15 H22 N4 O
SMILES:	N#Cc1c(cc(nc1NCCCN2CCOCC2)C)C
InChi:	InChI=1S/C15H22N4O/c1-12-10-13(2)18-15(14(12)11-16)17-4-3-5-19-6-8-20-9-7-19/h10H,3-9H2,1-2H3,(H,17,18)
Definition date:	2015-02-11
Last modified:	2016-02-12
Release date:	2016-02-17
Identifier:	4,6-dimethyl-2-{[3-(morpholin-4-yl)propyl]amino}pyridine-3-carbonitrile

47H

47H
Name:	6,6,8-trimethyl-5,6-dihydro[1,3]dioxolo[4,5-g]quinoline
Formula:	C13 H15 N O2
SMILES:	O1c3c(OC1)cc2NC(C=C(c2c3)C)(C)C
InChi:	InChI=1S/C13H15NO2/c1-8-6-13(2,3)14-10-5-12-11(4-9(8)10)15-7-16-12/h4-6,14H,7H2,1-3H3
Definition date:	2015-02-11
Last modified:	2016-02-12
Release date:	2016-02-17
Identifier:	6,6,8-trimethyl-5,6-dihydro[1,3]dioxolo[4,5-g]quinoline

VQI

VQI
Name:	(E)-3-[4-(6-hydroxy-2-isobutyl-7-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]prop-2-enoic acid
Formula:	C23 H27 N O3
SMILES:	CC(C)CN1CCc2cc(O)c(C)cc2[CH]1c3ccc(C=CC(O)=O)cc3
InChi:	InChI=1S/C23H27NO3/c1-15(2)14-24-11-10-19-13-21(25)16(3)12-20(19)23(24)18-7-4-17(5-8-18)6-9-22(26)27/h4-9,12-13,15,23,25H,10-11,14H2,1-3H3,(H,26,27)/b9-6+/t23-/m1/s1
Definition date:	2015-12-14
Last modified:	2016-02-05
Release date:	2016-02-10
Identifier:	(E)-3-[4-[(1R)-7-methyl-2-(2-methylpropyl)-6-oxidanyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid

GQD

GQD
Name:	(E)-3-[4-[(1R,3R)-6-hydroxy-2-isobutyl-3-methyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid
Formula:	C23 H27 N O3
SMILES:	CC(C)CN1[CH](C)Cc2cc(O)ccc2[CH]1c3ccc(C=CC(O)=O)cc3
InChi:	InChI=1S/C23H27NO3/c1-15(2)14-24-16(3)12-19-13-20(25)9-10-21(19)23(24)18-7-4-17(5-8-18)6-11-22(26)27/h4-11,13,15-16,23,25H,12,14H2,1-3H3,(H,26,27)/b11-6+/t16-,23-/m1/s1
Definition date:	2015-12-14
Last modified:	2016-02-05
Release date:	2016-02-10
Identifier:	(E)-3-[4-[(1R,3R)-3-methyl-2-(2-methylpropyl)-6-oxidanyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid

J0W

J0W
Name:	(E)-3-[4-(6-HYDROXY-2-ISOBUTYL-1-METHYL-3,4-DIHYDROISOQUINOLIN-1-YL)PHENYL]PROP-2-ENOIC ACID
Formula:	C23 H27 N O3
SMILES:	CC(C)CN1CCc2cc(O)ccc2[C]1(C)c3ccc(C=CC(O)=O)cc3
InChi:	InChI=1S/C23H27NO3/c1-16(2)15-24-13-12-18-14-20(25)9-10-21(18)23(24,3)19-7-4-17(5-8-19)6-11-22(26)27/h4-11,14,16,25H,12-13,15H2,1-3H3,(H,26,27)/b11-6+/t23-/m1/s1
Definition date:	2015-12-14
Last modified:	2016-02-05
Release date:	2016-02-10
Identifier:	(E)-3-[4-[(1R)-1-methyl-2-(2-methylpropyl)-6-oxidanyl-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoic acid

7QN

7QN
Name:	(E)-3-[4-(6-hydroxy-2-isobutyl-5-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]prop-2-enoic acid
Formula:	C23 H27 N O3
SMILES:	CC(C)CN1CCc2c(C)c(O)ccc2[CH]1c3ccc(C=CC(O)=O)cc3
InChi:	InChI=1S/C23H27NO3/c1-15(2)14-24-13-12-19-16(3)21(25)10-9-20(19)23(24)18-7-4-17(5-8-18)6-11-22(26)27/h4-11,15,23,25H,12-14H2,1-3H3,(H,26,27)/b11-6+/t23-/m1/s1
Definition date:	2015-12-14
Last modified:	2016-02-05
Release date:	2016-02-10
Identifier:	(E)-3-[4-[(1R)-5-methyl-2-(2-methylpropyl)-6-oxidanyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid

QHG

QHG
Name:	(E)-3-[4-[(1R)-6-HYDROXY-2-ISOBUTYL-3,4-DIHYDRO-1H-ISOQUINOLIN-1-YL]PHENYL]PROP-2-ENOIC ACID
Formula:	C22 H25 N O3
SMILES:	CC(C)CN1CCc2cc(O)ccc2[CH]1c3ccc(C=CC(O)=O)cc3
InChi:	InChI=1S/C22H25NO3/c1-15(2)14-23-12-11-18-13-19(24)8-9-20(18)22(23)17-6-3-16(4-7-17)5-10-21(25)26/h3-10,13,15,22,24H,11-12,14H2,1-2H3,(H,25,26)/b10-5+/t22-/m1/s1
Definition date:	2015-12-14
Last modified:	2016-02-05
Release date:	2016-02-10
Identifier:	(E)-3-[4-[(1R)-2-(2-methylpropyl)-6-oxidanyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid

5Y8

5Y8
Name:	8-[2-azanyl-3-chloranyl-5-(1-methylindazol-5-yl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
Formula:	C21 H23 Cl N6 O
SMILES:	Cn1ncc2cc(ccc12)c3cnc(N)c(Cl)c3N4CCC5(CCNC5=O)CC4
InChi:	InChI=1S/C21H23ClN6O/c1-27-16-3-2-13(10-14(16)11-26-27)15-12-25-19(23)17(22)18(15)28-8-5-21(6-9-28)4-7-24-20(21)29/h2-3,10-12H,4-9H2,1H3,(H2,23,25)(H,24,29)
Definition date:	2016-01-05
Last modified:	2016-01-29
Release date:	2016-02-03
Identifier:	8-[2-azanyl-3-chloranyl-5-(1-methylindazol-5-yl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one

NSC

NSC
Name:	N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA
Formula:	C21 H20 N6 O
SMILES:	c2c1c(N)cc(C)nc1ccc2NC(=O)Nc4cc3c(N)cc(C)nc3cc4
InChi:	InChI=1S/C21H20N6O/c1-11-7-17(22)15-9-13(3-5-19(15)24-11)26-21(28)27-14-4-6-20-16(10-14)18(23)8-12(2)25-20/h3-10H,1-2H3,(H2,22,24)(H2,23,25)(H2,26,27,28)
Definition date:	2003-07-10
Last modified:	2016-01-22
Identifier:	1,3-bis(4-amino-2-methylquinolin-6-yl)urea

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