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SYQ

SYQ
Name:	(S)-N-(1-cyclopropylethyl)-6-methylpicolinamide
Formula:	C12 H16 N2 O
SMILES:	C[CH](NC(=O)c1cccc(C)n1)C2CC2
InChi:	InChI=1S/C12H16N2O/c1-8-4-3-5-11(13-8)12(15)14-9(2)10-6-7-10/h3-5,9-10H,6-7H2,1-2H3,(H,14,15)/t9-/m0/s1
Synonyms:	~{N}-[(1~{S})-1-cyclopropylethyl]-6-methyl-pyridine-2-carboxamide
Definition date:	2020-12-07
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	~{N}-[(1~{S})-1-cyclopropylethyl]-6-methyl-pyridine-2-carboxamide

UTJ

UTJ
Name:	[4-(isoquinolin-8-yl)phenyl]acetonitrile
Formula:	C17 H12 N2
SMILES:	n2cc3c(c1ccc(cc1)CC#N)cccc3cc2
InChi:	InChI=1S/C17H12N2/c18-10-8-13-4-6-15(7-5-13)16-3-1-2-14-9-11-19-12-17(14)16/h1-7,9,11-12H,8H2
Definition date:	2020-06-02
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	[4-(isoquinolin-8-yl)phenyl]acetonitrile

UTS

UTS
Name:	1-benzyl-1H-benzimidazole
Formula:	C14 H12 N2
SMILES:	c1ccc(cc1)Cn3cnc2ccccc23
InChi:	InChI=1S/C14H12N2/c1-2-6-12(7-3-1)10-16-11-15-13-8-4-5-9-14(13)16/h1-9,11H,10H2
Definition date:	2020-06-02
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	1-benzyl-1H-benzimidazole

UTV

UTV
Name:	1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3H-indol-3-one
Formula:	C18 H17 F2 N O2
SMILES:	c3(CN2C(C(c1ccccc12)=O)(C)C)ccccc3OC(F)F
InChi:	InChI=1S/C18H17F2NO2/c1-18(2)16(22)13-8-4-5-9-14(13)21(18)11-12-7-3-6-10-15(12)23-17(19)20/h3-10,17H,11H2,1-2H3
Definition date:	2020-06-02
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3H-indol-3-one

UTY

UTY
Name:	3-[(6-{2-[(3R)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-1-yl)methyl]pyridine-2-carbonitrile
Formula:	C28 H29 N7 O3
SMILES:	N5(CCN(c1ncc(cn1)c3ccc2C(=O)C(C)(N(c2c3)Cc4cccnc4C#N)C)CC5C)C(CO)=O
InChi:	InChI=1S/C28H29N7O3/c1-18-15-33(9-10-34(18)25(37)17-36)27-31-13-21(14-32-27)19-6-7-22-24(11-19)35(28(2,3)26(22)38)16-20-5-4-8-30-23(20)12-29/h4-8,11,13-14,18,36H,9-10,15-17H2,1-3H3/t18-/m1/s1
Definition date:	2020-06-02
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	3-[(6-{2-[(3R)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-1-yl)methyl]pyridine-2-carbonitrile

VOJ

VOJ
Name:	3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine
Formula:	C20 H19 F N6 O
SMILES:	n3c(c(OC(c2cc(ccc2n1cccn1)F)C)cc(c3)c4cnnc4C)N
InChi:	InChI=1S/C20H19FN6O/c1-12-17(11-24-26-12)14-8-19(20(22)23-10-14)28-13(2)16-9-15(21)4-5-18(16)27-7-3-6-25-27/h3-11,13H,1-2H3,(H2,22,23)(H,24,26)/t13-/m0/s1
Definition date:	2020-08-31
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine

VOM

VOM
Name:	2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide
Formula:	C21 H18 F N5 O2
SMILES:	c1c(c(ccc1F)n2nccc2)C(Oc4c(nc3c(cc(cc3)C(N)=O)c4)N)C
InChi:	InChI=1S/C21H18FN5O2/c1-12(16-11-15(22)4-6-18(16)27-8-2-7-25-27)29-19-10-14-9-13(21(24)28)3-5-17(14)26-20(19)23/h2-12H,1H3,(H2,23,26)(H2,24,28)/t12-/m0/s1
Definition date:	2020-08-31
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide

VOP

VOP
Name:	[6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)-1H-indazol-1-yl]acetic acid
Formula:	C23 H19 F N6 O3
SMILES:	c1c(c(cc2cnn(c12)CC(O)=O)n3nccc3)C(C)Oc4c(nc5c(c4)cc(cc5)F)N
InChi:	InChI=1S/C23H19FN6O3/c1-13(33-21-9-14-7-16(24)3-4-18(14)28-23(21)25)17-10-19-15(11-27-30(19)12-22(31)32)8-20(17)29-6-2-5-26-29/h2-11,13H,12H2,1H3,(H2,25,28)(H,31,32)/t13-/m0/s1
Definition date:	2020-08-31
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	[6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)-1H-indazol-1-yl]acetic acid

VR4

VR4
Name:	N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide
Formula:	C29 H38 N4 O6
SMILES:	C(c1ccccc1)OC(NC(C(=O)NC(C(O)C(NCc2ccccc2)=O)CC3CCNC3=O)CC(C)C)=O
InChi:	InChI=1S/C29H38N4O6/c1-19(2)15-24(33-29(38)39-18-21-11-7-4-8-12-21)27(36)32-23(16-22-13-14-30-26(22)35)25(34)28(37)31-17-20-9-5-3-6-10-20/h3-12,19,22-25,34H,13-18H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)/t22-,23-,24-,25+/m0/s1
Synonyms:	GC376 alpha-ketoamide analog (bound form)
Definition date:	2020-09-09
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide

VR7

VR7
Name:	2-hydroxy-5-(thiophen-3-yl)benzoic acid
Formula:	C11 H8 O3 S
SMILES:	c1c(ccc(c1C(O)=O)O)c2ccsc2
InChi:	InChI=1S/C11H8O3S/c12-10-2-1-7(5-9(10)11(13)14)8-3-4-15-6-8/h1-6,12H,(H,13,14)
Definition date:	2020-09-09
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2-hydroxy-5-(thiophen-3-yl)benzoic acid

VUA

VUA
Name:	4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
Formula:	C18 H24 N4
SMILES:	n2ccc(N1CCC(CC1)C)nc2NCCc3ccccc3
InChi:	InChI=1S/C18H24N4/c1-15-9-13-22(14-10-15)17-8-12-20-18(21-17)19-11-7-16-5-3-2-4-6-16/h2-6,8,12,15H,7,9-11,13-14H2,1H3,(H,19,20,21)
Definition date:	2020-09-15
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine

VUD

VUD
Name:	6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one
Formula:	C19 H16 F N5 O2
SMILES:	C3(=C(C(Oc2c(nc1c(cc(cc1)F)c2)N)C)NC(=O)C=C3)n4nccc4
InChi:	InChI=1S/C19H16FN5O2/c1-11(18-15(5-6-17(26)24-18)25-8-2-7-22-25)27-16-10-12-9-13(20)3-4-14(12)23-19(16)21/h2-11H,1H3,(H2,21,23)(H,24,26)/t11-/m0/s1
Definition date:	2020-09-15
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one

VZP

VZP
Name:	N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea
Formula:	C9 H18 N2 O3 S
SMILES:	N(C1CCS(C1)(=O)=O)(C(=O)NC(C)C)C
InChi:	InChI=1S/C9H18N2O3S/c1-7(2)10-9(12)11(3)8-4-5-15(13,14)6-8/h7-8H,4-6H2,1-3H3,(H,10,12)/t8-/m1/s1
Definition date:	2020-09-24
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea

VZY

VZY
Name:	N-(3-methylbenzene-1-carbonyl)glycine
Formula:	C10 H11 N O3
SMILES:	c1c(cc(cc1)C)C(NCC(O)=O)=O
InChi:	InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
Definition date:	2020-09-24
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	N-(3-methylbenzene-1-carbonyl)glycine

W04

W04
Name:	N~2~-methyl-N-(4-methylpyridin-2-yl)glycinamide
Formula:	C9 H13 N3 O
SMILES:	N(C(=O)CNC)c1cc(ccn1)C
InChi:	InChI=1S/C9H13N3O/c1-7-3-4-11-8(5-7)12-9(13)6-10-2/h3-5,10H,6H2,1-2H3,(H,11,12,13)
Definition date:	2020-09-24
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	N~2~-methyl-N-(4-methylpyridin-2-yl)glycinamide

W0A

W0A
Name:	N-[(1H-benzimidazol-2-yl)methyl]butanamide
Formula:	C12 H15 N3 O
SMILES:	n1c(CNC(=O)CCC)nc2c1cccc2
InChi:	InChI=1S/C12H15N3O/c1-2-5-12(16)13-8-11-14-9-6-3-4-7-10(9)15-11/h3-4,6-7H,2,5,8H2,1H3,(H,13,16)(H,14,15)
Definition date:	2020-09-24
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	N-[(1H-benzimidazol-2-yl)methyl]butanamide

W0D

W0D
Name:	N-[(1H-benzimidazol-2-yl)methyl]furan-2-carboxamide
Formula:	C13 H11 N3 O2
SMILES:	n2c(CNC(=O)c1ccco1)nc3ccccc23
InChi:	InChI=1S/C13H11N3O2/c17-13(11-6-3-7-18-11)14-8-12-15-9-4-1-2-5-10(9)16-12/h1-7H,8H2,(H,14,17)(H,15,16)
Definition date:	2020-09-24
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	N-[(1H-benzimidazol-2-yl)methyl]furan-2-carboxamide

W0G

W0G
Name:	(3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one
Formula:	C11 H13 F N2 O
SMILES:	N1(C(C(CC1)NC)=O)c2ccccc2F
InChi:	InChI=1S/C11H13FN2O/c1-13-9-6-7-14(11(9)15)10-5-3-2-4-8(10)12/h2-5,9,13H,6-7H2,1H3/t9-/m1/s1
Definition date:	2020-09-24
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one

W0J

W0J
Name:	(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine
Formula:	C10 H16 N4
SMILES:	N1(CCCC(C1)NC)c2nnccc2
InChi:	InChI=1S/C10H16N4/c1-11-9-4-3-7-14(8-9)10-5-2-6-12-13-10/h2,5-6,9,11H,3-4,7-8H2,1H3/t9-/m1/s1
Definition date:	2020-09-24
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine

W0P

W0P
Name:	(2R)-2-(2-fluorophenoxy)propanoic acid
Formula:	C9 H9 F O3
SMILES:	c1cc(c(cc1)F)OC(C(=O)O)C
InChi:	InChI=1S/C9H9FO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,11,12)/t6-/m1/s1
Definition date:	2020-09-24
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(2R)-2-(2-fluorophenoxy)propanoic acid

W0S

W0S
Name:	1-(3,4,5-trimethoxyphenyl)methanamine
Formula:	C10 H15 N O3
SMILES:	C(N)c1cc(c(c(c1)OC)OC)OC
InChi:	InChI=1S/C10H15NO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6,11H2,1-3H3
Definition date:	2020-09-24
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	1-(3,4,5-trimethoxyphenyl)methanamine

W0V

W0V
Name:	N-[(1H-benzimidazol-2-yl)methyl]-2-methylpropanamide
Formula:	C12 H15 N3 O
SMILES:	n1c(CNC(=O)C(C)C)nc2c1cccc2
InChi:	InChI=1S/C12H15N3O/c1-8(2)12(16)13-7-11-14-9-5-3-4-6-10(9)15-11/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15)
Definition date:	2020-09-24
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	N-[(1H-benzimidazol-2-yl)methyl]-2-methylpropanamide

W0Y

W0Y
Name:	N-methyl-4-sulfamoylbenzamide
Formula:	C8 H10 N2 O3 S
SMILES:	NS(c1ccc(cc1)C(NC)=O)(=O)=O
InChi:	InChI=1S/C8H10N2O3S/c1-10-8(11)6-2-4-7(5-3-6)14(9,12)13/h2-5H,1H3,(H,10,11)(H2,9,12,13)
Definition date:	2020-09-24
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	N-methyl-4-sulfamoylbenzamide

W17

W17
Name:	1-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide
Formula:	C6 H9 N3 O2
SMILES:	n1n(cc(C(=O)N)c1)CCO
InChi:	InChI=1S/C6H9N3O2/c7-6(11)5-3-8-9(4-5)1-2-10/h3-4,10H,1-2H2,(H2,7,11)
Definition date:	2020-09-24
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	1-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide

W1A

W1A
Name:	N-[(piperidin-4-yl)methyl]methanesulfonamide
Formula:	C7 H16 N2 O2 S
SMILES:	N1CCC(CC1)CNS(=O)(=O)C
InChi:	InChI=1S/C7H16N2O2S/c1-12(10,11)9-6-7-2-4-8-5-3-7/h7-9H,2-6H2,1H3
Definition date:	2020-09-24
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	N-[(piperidin-4-yl)methyl]methanesulfonamide

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