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PJG

PJG
Name:	N~1~-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethane-1,2-diamine
Formula:	C12 H22 N2
SMILES:	C13(CC2CC(CC(C1)C2)C3)NCCN
InChi:	InChI=1S/C12H22N2/c13-1-2-14-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,14H,1-8,13H2/t9-,10+,11-,12-
Definition date:	2019-08-07
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	N~1~-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethane-1,2-diamine

PJP

PJP
Name:	N,N-diethyl-4-methylbenzene-1-sulfonamide
Formula:	C11 H17 N O2 S
SMILES:	CCN(CC)S(c1ccc(cc1)C)(=O)=O
InChi:	InChI=1S/C11H17NO2S/c1-4-12(5-2)15(13,14)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3
Definition date:	2019-08-12
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	N,N-diethyl-4-methylbenzene-1-sulfonamide

PJS

PJS
Name:	N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylpyrimidine-4-carboxamide
Formula:	C14 H13 Cl F N3 O
SMILES:	Cc1nc(ccn1)C(N(Cc2c(F)cccc2Cl)C)=O
InChi:	InChI=1S/C14H13ClFN3O/c1-9-17-7-6-13(18-9)14(20)19(2)8-10-11(15)4-3-5-12(10)16/h3-7H,8H2,1-2H3
Definition date:	2019-08-12
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylpyrimidine-4-carboxamide

PJV

PJV
Name:	3-(2-bromophenoxy)pyridazine
Formula:	C10 H7 Br N2 O
SMILES:	c1(Br)ccccc1Oc2cccnn2
InChi:	InChI=1S/C10H7BrN2O/c11-8-4-1-2-5-9(8)14-10-6-3-7-12-13-10/h1-7H
Definition date:	2019-08-12
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	3-(2-bromophenoxy)pyridazine

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

DSM

DSM
Name:	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE
Formula:	C18 H22 N2
SMILES:	c1cc3c(cc1)CCc2c(cccc2)N3CCCNC
InChi:	InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
Synonyms:	Desipramine
Definition date:	2007-07-17
Last modified:	2020-09-29
Identifier:	3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methylpropan-1-amine

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

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

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

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

PUJ

PUJ
Name:	(1E,3S)-1-{10-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-7-(3-fluoroazetidin-1-yl)-5,5-dimethyldibenz o[b,e]silin-3(5H)-ylidene}-3-fluoroazetidin-1-ium
Formula:	C39 H48 F2 N3 O5 Si
SMILES:	c15c(ccc(c1)N2CC(F)C2)C(c3c(ccc(c3)C(NCCOCCOCCCCCC)=O)C(O)=O)=C6C=CC(=[N+]4/CC(F)C4)C=C6[Si]5(C)C
InChi:	InChI=1S/C39H47F2N3O5Si/c1-4-5-6-7-15-48-17-18-49-16-14-42-38(45)26-8-11-31(39(46)47)34(19-26)37-32-12-9-29(43-22-27(40)23-43)20-35(32)50(2,3)36-21-30(10-13-33(36)37)44-24-28(41)25-44/h8-13,19-21,27-28H,4-7,14-18,22-25H2,1-3H3,(H-,42,45,46,47)/p+1
Synonyms:	JF635
Definition date:	2019-08-23
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	(1E,3S)-1-{10-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-7-(3-fluoroazetidin-1-yl)-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene}-3-fluoroazetidin-1-ium

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

VWV

VWV
Name:	ethyl (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)acetate
Formula:	C8 H15 N O4 S
SMILES:	N1(CC(OCC)=O)CCS(CC1)(=O)=O
InChi:	InChI=1S/C8H15NO4S/c1-2-13-8(10)7-9-3-5-14(11,12)6-4-9/h2-7H2,1H3
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	ethyl (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)acetate

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

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