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LTW

LTW
Name:	~{N}-[3-[[5-ethanoyl-2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide
Formula:	C31 H31 N5 O6
SMILES:	Cn1ccc(n1)c2cc(NC(=O)c3occc3)cc(c2)C(=O)Nc4cc(ccc4OCCN5CC6(COC6)C5)C(C)=O
InChi:	InChI=1S/C31H31N5O6/c1-20(37)21-5-6-27(42-11-9-36-16-31(17-36)18-40-19-31)26(15-21)33-29(38)23-12-22(25-7-8-35(2)34-25)13-24(14-23)32-30(39)28-4-3-10-41-28/h3-8,10,12-15H,9,11,16-19H2,1-2H3,(H,32,39)(H,33,38)
Definition date:	2019-09-04
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	~{N}-[3-[[5-ethanoyl-2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide

LU5

LU5
Name:	~{N}-[3-acetamido-5-[(3-methylcinnolin-5-yl)carbamoyl]phenyl]furan-2-carboxamide
Formula:	C23 H19 N5 O4
SMILES:	CC(=O)Nc1cc(NC(=O)c2occc2)cc(c1)C(=O)Nc3cccc4nnc(C)cc34
InChi:	InChI=1S/C23H19N5O4/c1-13-9-18-19(5-3-6-20(18)28-27-13)26-22(30)15-10-16(24-14(2)29)12-17(11-15)25-23(31)21-7-4-8-32-21/h3-12H,1-2H3,(H,24,29)(H,25,31)(H,26,30)
Definition date:	2019-09-04
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	~{N}-[3-acetamido-5-[(3-methylcinnolin-5-yl)carbamoyl]phenyl]furan-2-carboxamide

LUE

LUE
Name:	~{N}-[4-[5-[(dimethylamino)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-yl]-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,5-a]pyridin-7-amine
Formula:	C22 H24 N10 O
SMILES:	CN(C)Cc1cc(nn1C)c2ccnc(Nc3ccn4c(C)nc(c5oc(C)nn5)c4c3)n2
InChi:	InChI=1S/C22H24N10O/c1-13-24-20(21-28-27-14(2)33-21)19-10-15(7-9-32(13)19)25-22-23-8-6-17(26-22)18-11-16(12-30(3)4)31(5)29-18/h6-11H,12H2,1-5H3,(H,23,25,26)
Definition date:	2019-09-06
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	~{N}-[4-[5-[(dimethylamino)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-yl]-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,5-a]pyridin-7-amine

LV5

LV5
Name:	3,4-Dichloroaniline
Formula:	C6 H5 Cl2 N
SMILES:	Nc1ccc(Cl)c(Cl)c1
InChi:	InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
Definition date:	2019-09-13
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	3,4-bis(chloranyl)aniline

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

VVG

VVG
Name:	N-(2-fluorophenyl)ethanesulfonamide
Formula:	C8 H10 F N O2 S
SMILES:	N(c1ccccc1F)S(CC)(=O)=O
InChi:	InChI=1S/C8H10FNO2S/c1-2-13(11,12)10-8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	N-(2-fluorophenyl)ethanesulfonamide

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

VVM

VVM
Name:	4-amino-N-phenylbenzene-1-sulfonamide
Formula:	C12 H12 N2 O2 S
SMILES:	Nc1ccc(cc1)S(=O)(=O)Nc2ccccc2
InChi:	InChI=1S/C12H12N2O2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h1-9,14H,13H2
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	4-amino-N-phenylbenzene-1-sulfonamide

VVP

VVP
Name:	4-methoxy-1H-indole
Formula:	C9 H9 N O
SMILES:	n1ccc2c1cccc2OC
InChi:	InChI=1S/C9H9NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-6,10H,1H3
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	4-methoxy-1H-indole

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

V0S

V0S
Name:	3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide
Formula:	C28 H28 Cl N3 O S
SMILES:	C5(CCC(N(C(c2c(c1c(cccc1)s2)Cl)=O)Cc3cccc(c3)c4ccncc4)CC5)NC
InChi:	InChI=1S/C28H28ClN3OS/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20/h2-8,13-17,22-23,30H,9-12,18H2,1H3/t22-,23-
Definition date:	2020-06-11
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide

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

DZU

DZU
Name:	8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline
Formula:	C33 H35 N5 O
SMILES:	CN1CCN(CCCOc2cccc(c2)n3c(C=Cc4cccc5cccnc45)nc6cc(C)ccc36)CC1
InChi:	InChI=1S/C33H35N5O/c1-25-12-14-31-30(23-25)35-32(15-13-27-8-3-7-26-9-5-16-34-33(26)27)38(31)28-10-4-11-29(24-28)39-22-6-17-37-20-18-36(2)19-21-37/h3-5,7-16,23-24H,6,17-22H2,1-2H3/b15-13+
Definition date:	2019-09-26
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	8-[(~{E})-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline

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

EGX

EGX
Name:	1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione
Formula:	C22 H19 N3 O2
SMILES:	O=C1c2ccccc2C(=O)c3c1cccc3c4cnn(c4)C5CCNCC5
InChi:	InChI=1S/C22H19N3O2/c26-21-17-4-1-2-5-18(17)22(27)20-16(6-3-7-19(20)21)14-12-24-25(13-14)15-8-10-23-11-9-15/h1-7,12-13,15,23H,8-11H2
Definition date:	2019-12-20
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione

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