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PJY

PJY
Name:	N,N-dimethyl-2-(methylsulfanyl)pyridine-3-carboxamide
Formula:	C9 H12 N2 O S
SMILES:	CSc1c(cccn1)C(=O)N(C)C
InChi:	InChI=1S/C9H12N2OS/c1-11(2)9(12)7-5-4-6-10-8(7)13-3/h4-6H,1-3H3
Definition date:	2019-08-12
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	N,N-dimethyl-2-(methylsulfanyl)pyridine-3-carboxamide

PK7

PK7
Name:	1-(3-chloro-4-fluorophenyl)methanamine
Formula:	C7 H7 Cl F N
SMILES:	C(c1ccc(F)c(c1)Cl)N
InChi:	InChI=1S/C7H7ClFN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H,4,10H2
Definition date:	2019-08-12
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	1-(3-chloro-4-fluorophenyl)methanamine

PKD

PKD
Name:	(4S)-3-(4-chlorobenzene-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
Formula:	C11 H10 Cl N O3 S
SMILES:	C(C1CSCN1C(c2ccc(cc2)Cl)=O)(O)=O
InChi:	InChI=1S/C11H10ClNO3S/c12-8-3-1-7(2-4-8)10(14)13-6-17-5-9(13)11(15)16/h1-4,9H,5-6H2,(H,15,16)/t9-/m1/s1
Definition date:	2019-08-12
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	(4S)-3-(4-chlorobenzene-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid

T9D

T9D
Name:	5-{5-[(piperidin-4-yl)oxy]-2H-isoindol-2-yl}-4-(trifluoromethyl)pyridazin-3(2H)-one
Formula:	C18 H17 F3 N4 O2
SMILES:	C1(=C(C=NNC1=O)n2cc3c(c2)ccc(c3)OC4CCNCC4)C(F)(F)F
InChi:	InChI=1S/C18H17F3N4O2/c19-18(20,21)16-15(8-23-24-17(16)26)25-9-11-1-2-14(7-12(11)10-25)27-13-3-5-22-6-4-13/h1-2,7-10,13,22H,3-6H2,(H,24,26)
Definition date:	2020-03-17
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	5-{5-[(piperidin-4-yl)oxy]-2H-isoindol-2-yl}-4-(trifluoromethyl)pyridazin-3(2H)-one

U0D

U0D
Name:	4-(1-{1-[2-(dimethylamino)ethyl]piperidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
Formula:	C31 H36 F3 N7
SMILES:	n2(cnc(c1ccc(cc1)C(F)(F)F)c2c3ccnc(n3)Nc4cc(cc(c4)C)C)C5CCN(CC5)CCN(C)C
InChi:	InChI=1S/C31H36F3N7/c1-21-17-22(2)19-25(18-21)37-30-35-12-9-27(38-30)29-28(23-5-7-24(8-6-23)31(32,33)34)36-20-41(29)26-10-13-40(14-11-26)16-15-39(3)4/h5-9,12,17-20,26H,10-11,13-16H2,1-4H3,(H,35,37,38)
Definition date:	2020-04-07
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	4-(1-{1-[2-(dimethylamino)ethyl]piperidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine

JMC

JMC
Name:	[(2~{R},3~{R},4~{R},5~{R})-5-(4-azanyl-3-methyl-2-oxidanylidene-4~{H}-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C11 H20 N3 O8 P
SMILES:	CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=C[CH](N)N(C)C2=O
InChi:	InChI=1S/C11H20N3O8P/c1-13-7(12)3-4-14(11(13)16)10-9(20-2)8(15)6(22-10)5-21-23(17,18)19/h3-4,6-10,15H,5,12H2,1-2H3,(H2,17,18,19)/t6-,7-,8-,9-,10-/m1/s1
Definition date:	2020-06-29
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	[(2~{R},3~{R},4~{R},5~{R})-5-(4-azanyl-3-methyl-2-oxidanylidene-4~{H}-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

UY4

UY4
Name:	(2S,3S)-2-{[(9-{(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-9H-purin-6-yl)carbamoyl]amino}-3-hydroxybutanoic acid
Formula:	C15 H21 N6 O11 P
SMILES:	c23n(C1OC(C(C1O)O)COP(O)(=O)O)cnc2c(ncn3)NC(NC(C(=O)O)C(C)O)=O
InChi:	InChI=1S/C15H21N6O11P/c1-5(22)7(14(25)26)19-15(27)20-11-8-12(17-3-16-11)21(4-18-8)13-10(24)9(23)6(32-13)2-31-33(28,29)30/h3-7,9-10,13,22-24H,2H2,1H3,(H,25,26)(H2,28,29,30)(H2,16,17,19,20,27)/t5-,6+,7-,9+,10+,13+/m0/s1
Definition date:	2020-06-04
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	(2S,3S)-2-{[(9-{(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-9H-purin-6-yl)carbamoyl]amino}-3-hydroxybutanoic acid (non-preferred name)

IXX

IXX
Name:	3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
Formula:	C19 H24 N2
SMILES:	c1cc3c(cc1)CCc2c(cccc2)N3CCCN(C)C
InChi:	InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
Synonyms:	5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz[b,f]azepine
Definition date:	2007-06-07
Last modified:	2020-09-28
Identifier:	3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine

YIC

YIC
Name:	(2S)-2-[[(2S)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
Formula:	C23 H32 N2 O4
SMILES:	OC(=O)[CH](Cc1ccccc1)NC(=O)[CH]2CCCCN2C(=O)CCC3CCCC3
InChi:	InChI=1S/C23H32N2O4/c26-21(14-13-17-8-4-5-9-17)25-15-7-6-12-20(25)22(27)24-19(23(28)29)16-18-10-2-1-3-11-18/h1-3,10-11,17,19-20H,4-9,12-16H2,(H,24,27)(H,28,29)/t19-,20-/m0/s1
Definition date:	2019-10-08
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	(2~{S})-2-[[(2~{S})-1-(3-cyclopentylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid

VVD

VVD
Name:	5-(acetylamino)-2-fluorobenzoic acid
Formula:	C9 H8 F N O3
SMILES:	N(c1ccc(F)c(c1)C(=O)O)C(C)=O
InChi:	InChI=1S/C9H8FNO3/c1-5(12)11-6-2-3-8(10)7(4-6)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	5-(acetylamino)-2-fluorobenzoic acid

VVJ

VVJ
Name:	N-cycloheptyl-N-methylmethanesulfonamide
Formula:	C9 H19 N O2 S
SMILES:	N(S(=O)(=O)C)(C1CCCCCC1)C
InChi:	InChI=1S/C9H19NO2S/c1-10(13(2,11)12)9-7-5-3-4-6-8-9/h9H,3-8H2,1-2H3
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	N-cycloheptyl-N-methylmethanesulfonamide

VVY

VVY
Name:	2-phenoxy-1-(pyrrolidin-1-yl)ethan-1-one
Formula:	C12 H15 N O2
SMILES:	N1(CCCC1)C(=O)COc2ccccc2
InChi:	InChI=1S/C12H15NO2/c14-12(13-8-4-5-9-13)10-15-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	2-phenoxy-1-(pyrrolidin-1-yl)ethan-1-one

VW1

VW1
Name:	(2S)-2-(4-cyanophenoxy)propanamide
Formula:	C10 H10 N2 O2
SMILES:	N#Cc1ccc(OC(C(=O)N)C)cc1
InChi:	InChI=1S/C10H10N2O2/c1-7(10(12)13)14-9-4-2-8(6-11)3-5-9/h2-5,7H,1H3,(H2,12,13)
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	(2S)-2-(4-cyanophenoxy)propanamide

VW4

VW4
Name:	(2S)-2-phenylpropane-1-sulfonamide
Formula:	C9 H13 N O2 S
SMILES:	NS(CC(c1ccccc1)C)(=O)=O
InChi:	InChI=1S/C9H13NO2S/c1-8(7-13(10,11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,10,11,12)/t8-/m1/s1
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	(2S)-2-phenylpropane-1-sulfonamide

VW7

VW7
Name:	N-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide
Formula:	C12 H16 N2 O
SMILES:	N(c2ccc(C)c1NCCCc12)C(C)=O
InChi:	InChI=1S/C12H16N2O/c1-8-5-6-11(14-9(2)15)10-4-3-7-13-12(8)10/h5-6,13H,3-4,7H2,1-2H3,(H,14,15)
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	N-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide

VWA

VWA
Name:	(1S)-1-(4-fluorophenyl)-N-methylethan-1-amine
Formula:	C9 H12 F N
SMILES:	N(C)C(c1ccc(cc1)F)C
InChi:	InChI=1S/C9H12FN/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7,11H,1-2H3/t7-/m0/s1
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	(1S)-1-(4-fluorophenyl)-N-methylethan-1-amine

VWD

VWD
Name:	(1R)-2-(methylsulfonyl)-1-phenylethan-1-ol
Formula:	C9 H12 O3 S
SMILES:	c1(C(CS(C)(=O)=O)O)ccccc1
InChi:	InChI=1S/C9H12O3S/c1-13(11,12)7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-/m0/s1
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	(1R)-2-(methylsulfonyl)-1-phenylethan-1-ol

VWG

VWG
Name:	N-hydroxyquinoline-2-carboxamide
Formula:	C10 H8 N2 O2
SMILES:	N(O)C(=O)c1ccc2c(n1)cccc2
InChi:	InChI=1S/C10H8N2O2/c13-10(12-14)9-6-5-7-3-1-2-4-8(7)11-9/h1-6,14H,(H,12,13)
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	N-hydroxyquinoline-2-carboxamide

VWJ

VWJ
Name:	N-(propan-2-yl)-1H-benzimidazol-2-amine
Formula:	C10 H13 N3
SMILES:	N(c1nc2c(n1)cccc2)C(C)C
InChi:	InChI=1S/C10H13N3/c1-7(2)11-10-12-8-5-3-4-6-9(8)13-10/h3-7H,1-2H3,(H2,11,12,13)
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	N-(propan-2-yl)-1H-benzimidazol-2-amine

VWM

VWM
Name:	(3R)-1-acetyl-3-hydroxypiperidine-3-carboxylic acid
Formula:	C8 H13 N O4
SMILES:	N1(CCCC(O)(C1)C(=O)O)C(C)=O
InChi:	InChI=1S/C8H13NO4/c1-6(10)9-4-2-3-8(13,5-9)7(11)12/h13H,2-5H2,1H3,(H,11,12)/t8-/m1/s1
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	(3R)-1-acetyl-3-hydroxypiperidine-3-carboxylic acid

VWY

VWY
Name:	N-ethyl-4-[(methylsulfonyl)amino]benzamide
Formula:	C10 H14 N2 O3 S
SMILES:	N(CC)C(c1ccc(cc1)NS(C)(=O)=O)=O
InChi:	InChI=1S/C10H14N2O3S/c1-3-11-10(13)8-4-6-9(7-5-8)12-16(2,14)15/h4-7,12H,3H2,1-2H3,(H,11,13)
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	N-ethyl-4-[(methylsulfonyl)amino]benzamide

VX4

VX4
Name:	[(4S)-4-methylazepan-1-yl](1,3-thiazol-4-yl)methanone
Formula:	C11 H16 N2 O S
SMILES:	N2(C(c1cscn1)=O)CCC(C)CCC2
InChi:	InChI=1S/C11H16N2OS/c1-9-3-2-5-13(6-4-9)11(14)10-7-15-8-12-10/h7-9H,2-6H2,1H3/t9-/m0/s1
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	[(4S)-4-methylazepan-1-yl](1,3-thiazol-4-yl)methanone

VXD

VXD
Name:	N-(3-chloro-2-methylphenyl)glycinamide
Formula:	C9 H11 Cl N2 O
SMILES:	N(C(=O)CN)c1cccc(c1C)Cl
InChi:	InChI=1S/C9H11ClN2O/c1-6-7(10)3-2-4-8(6)12-9(13)5-11/h2-4H,5,11H2,1H3,(H,12,13)
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	N-(3-chloro-2-methylphenyl)glycinamide

VZ7

VZ7
Name:	2-(3-chlorophenyl)-2-methylpropyl hydrogen carbonate
Formula:	C11 H13 Cl O3
SMILES:	CC(C)(c1cccc(c1)Cl)COC(=O)O
InChi:	InChI=1S/C11H13ClO3/c1-11(2,7-15-10(13)14)8-4-3-5-9(12)6-8/h3-6H,7H2,1-2H3,(H,13,14)
Definition date:	2020-09-23
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	2-(3-chlorophenyl)-2-methylpropyl hydrogen carbonate

E1L

E1L
Name:	N-[4-(trifluoromethyloxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide
Formula:	C19 H16 F3 N3 O S
SMILES:	FC(F)(F)Oc1ccc(NC(=S)N2CCc3c(C2)[nH]c4ccccc34)cc1
InChi:	InChI=1S/C19H16F3N3OS/c20-19(21,22)26-13-7-5-12(6-8-13)23-18(27)25-10-9-15-14-3-1-2-4-16(14)24-17(15)11-25/h1-8,24H,9-11H2,(H,23,27)
Definition date:	2019-10-01
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	~{N}-[4-(trifluoromethyloxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioamide

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