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JBE

JBE
Name:	3-nitropyridin-2-amine
Formula:	C5 H5 N3 O2
SMILES:	Nc1ncccc1[N+]([O-])=O
InChi:	InChI=1S/C5H5N3O2/c6-5-4(8(9)10)2-1-3-7-5/h1-3H,(H2,6,7)
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	3-nitropyridin-2-amine

JBH

JBH
Name:	3,4-dihydroquinazolin-4-ol
Formula:	C8 H8 N2 O
SMILES:	O[CH]1NC=Nc2ccccc12
InChi:	InChI=1S/C8H8N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5,8,11H,(H,9,10)/t8-/m1/s1
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	3,4-dihydroquinazolin-4-ol

JBK

JBK
Name:	2-azanyl-3-nitro-phenol
Formula:	C6 H6 N2 O3
SMILES:	Nc1c(O)cccc1[N+]([O-])=O
InChi:	InChI=1S/C6H6N2O3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H,7H2
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	2-azanyl-3-nitro-phenol

JBQ

JBQ
Name:	5-fluoranyl-3,4-dihydroquinazolin-4-ol
Formula:	C8 H7 F N2 O
SMILES:	O[CH]1NC=Nc2cccc(F)c12
InChi:	InChI=1S/C8H7FN2O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h1-4,8,12H,(H,10,11)/t8-/m0/s1
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	5-fluoranyl-3,4-dihydroquinazolin-4-ol

JBZ

JBZ
Name:	6-methoxy-1,3-benzothiazole-2-carboxylic acid
Formula:	C9 H7 N O3 S
SMILES:	COc1ccc2nc(sc2c1)C(O)=O
InChi:	InChI=1S/C9H7NO3S/c1-13-5-2-3-6-7(4-5)14-8(10-6)9(11)12/h2-4H,1H3,(H,11,12)
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	6-methoxy-1,3-benzothiazole-2-carboxylic acid

Y8A

Y8A
Name:	9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline
Formula:	C20 H19 Cl N2 O
SMILES:	c1c2c(ccc1OC)n(c3c2CCN=C3C)Cc4ccc(cc4)Cl
InChi:	InChI=1S/C20H19ClN2O/c1-13-20-17(9-10-22-13)18-11-16(24-2)7-8-19(18)23(20)12-14-3-5-15(21)6-4-14/h3-8,11H,9-10,12H2,1-2H3
Definition date:	2019-11-29
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline

J8N

J8N
Name:	4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide
Formula:	C16 H17 Cl N2 O4 S2
SMILES:	N[S](=O)(=O)c1cc(C(=O)NCCCO)c(Sc2ccccc2)cc1Cl
InChi:	InChI=1S/C16H17ClN2O4S2/c17-13-10-14(24-11-5-2-1-3-6-11)12(9-15(13)25(18,22)23)16(21)19-7-4-8-20/h1-3,5-6,9-10,20H,4,7-8H2,(H,19,21)(H2,18,22,23)
Definition date:	2019-02-11
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide

J8Q

J8Q
Name:	~{N}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide
Formula:	C19 H23 Cl N2 O3 S2
SMILES:	CCCCNC(=O)c1cc(c(Cl)cc1SCCc2ccccc2)[S](N)(=O)=O
InChi:	InChI=1S/C19H23ClN2O3S2/c1-2-3-10-22-19(23)15-12-18(27(21,24)25)16(20)13-17(15)26-11-9-14-7-5-4-6-8-14/h4-8,12-13H,2-3,9-11H2,1H3,(H,22,23)(H2,21,24,25)
Definition date:	2019-02-11
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	~{N}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide

J92

J92
Name:	methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate
Formula:	C18 H25 Cl N2 O5 S2
SMILES:	COC(=O)CCCNC(=O)c1cc(c(Cl)cc1SC2CCCCC2)[S](N)(=O)=O
InChi:	InChI=1S/C18H25ClN2O5S2/c1-26-17(22)8-5-9-21-18(23)13-10-16(28(20,24)25)14(19)11-15(13)27-12-6-3-2-4-7-12/h10-12H,2-9H2,1H3,(H,21,23)(H2,20,24,25)
Definition date:	2019-02-12
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate

J9T

J9T
Name:	methyl 2-azanylpyridine-4-carboxylate
Formula:	C7 H8 N2 O2
SMILES:	COC(=O)c1ccnc(N)c1
InChi:	InChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3,(H2,8,9)
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	methyl 2-azanylpyridine-4-carboxylate

J9W

J9W
Name:	1,3-benzoxazine-2,4-dione
Formula:	C8 H5 N O3
SMILES:	O=C1NC(=O)c2ccccc2O1
InChi:	InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H,(H,9,10,11)
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	1,3-benzoxazine-2,4-dione

JA5

JA5
Name:	methyl 2-(hydroxymethyl)-6~{H}-thieno[2,3-b]pyrrole-5-carboxylate
Formula:	C9 H9 N O3 S
SMILES:	COC(=O)c1[nH]c2sc(CO)cc2c1
InChi:	InChI=1S/C9H9NO3S/c1-13-9(12)7-3-5-2-6(4-11)14-8(5)10-7/h2-3,10-11H,4H2,1H3
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	methyl 2-(hydroxymethyl)-6~{H}-thieno[2,3-b]pyrrole-5-carboxylate

JA8

JA8
Name:	5-bromanyl-1,3-benzothiazol-2-amine
Formula:	C7 H5 Br N2 S
SMILES:	Nc1sc2ccc(Br)cc2n1
InChi:	InChI=1S/C7H5BrN2S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	5-bromanyl-1,3-benzothiazol-2-amine

JAB

JAB
Name:	1,2-oxazole-5-carbothioamide
Formula:	C4 H4 N2 O S
SMILES:	NC(=S)c1oncc1
InChi:	InChI=1S/C4H4N2OS/c5-4(8)3-1-2-6-7-3/h1-2H,(H2,5,8)
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	1,2-oxazole-5-carbothioamide

JAE

JAE
Name:	1,3-benzothiazol-6-amine
Formula:	C7 H6 N2 S
SMILES:	Nc1ccc2ncsc2c1
InChi:	InChI=1S/C7H6N2S/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	1,3-benzothiazol-6-amine

JAH

JAH
Name:	(6-phenylpyridin-3-yl)methanamine
Formula:	C12 H12 N2
SMILES:	NCc1ccc(nc1)c2ccccc2
InChi:	InChI=1S/C12H12N2/c13-8-10-6-7-12(14-9-10)11-4-2-1-3-5-11/h1-7,9H,8,13H2
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	(6-phenylpyridin-3-yl)methanamine

OOY

OOY
Name:	N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide
Formula:	C27 H29 N3 O4
SMILES:	c2cc(c(N1CCOCC1)cc2N3CCOCC3)NC(=O)c4cc(ccc4)Oc5ccccc5
InChi:	InChI=1S/C27H29N3O4/c31-27(21-5-4-8-24(19-21)34-23-6-2-1-3-7-23)28-25-10-9-22(29-11-15-32-16-12-29)20-26(25)30-13-17-33-18-14-30/h1-10,19-20H,11-18H2,(H,28,31)
Definition date:	2019-07-02
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide

OQJ

OQJ
Name:	N-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide
Formula:	C22 H17 Cl N4 O3 S
SMILES:	c1cc(c(cc1Cl)NC(Nc4ccc2c(sc(n2)NC(=O)c3ccccc3)c4)=O)OC
InChi:	InChI=1S/C22H17ClN4O3S/c1-30-18-10-7-14(23)11-17(18)25-21(29)24-15-8-9-16-19(12-15)31-22(26-16)27-20(28)13-5-3-2-4-6-13/h2-12H,1H3,(H2,24,25,29)(H,26,27,28)
Definition date:	2019-07-02
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	N-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide

OQM

OQM
Name:	2-[5,7-dimethyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Formula:	C21 H17 F3 N6 O
SMILES:	c3(c1cnccc1)nc2nc(c(c(C)n2n3)CC(=O)Nc4cc(ccc4)C(F)(F)F)C
InChi:	InChI=1S/C21H17F3N6O/c1-12-17(10-18(31)27-16-7-3-6-15(9-16)21(22,23)24)13(2)30-20(26-12)28-19(29-30)14-5-4-8-25-11-14/h3-9,11H,10H2,1-2H3,(H,27,31)
Definition date:	2019-07-02
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	2-[5,7-dimethyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

OQS

OQS
Name:	N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(4-methoxyphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide
Formula:	C21 H15 Cl F3 N5 O3
SMILES:	c4c(n3ncc2C(N(CC(Nc1c(ccc(C(F)(F)F)c1)Cl)=O)C=Nc23)=O)ccc(c4)OC
InChi:	InChI=1S/C21H15ClF3N5O3/c1-33-14-5-3-13(4-6-14)30-19-15(9-27-30)20(32)29(11-26-19)10-18(31)28-17-8-12(21(23,24)25)2-7-16(17)22/h2-9,11H,10H2,1H3,(H,28,31)
Definition date:	2019-07-02
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(4-methoxyphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide

RLG

RLG
Name:	(4R)-1-methyl-4-phenylpyrrolidin-2-one
Formula:	C11 H13 N O
SMILES:	CN1CC(CC1=O)c2ccccc2
InChi:	InChI=1S/C11H13NO/c1-12-8-10(7-11(12)13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m0/s1
Definition date:	2020-02-17
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	(4R)-1-methyl-4-phenylpyrrolidin-2-one

RLS

RLS
Name:	(4R)-1-methyl-4-{4-[(piperidin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one
Formula:	C16 H22 N2 O3 S
SMILES:	CN1C(CC(C1)c2ccc(cc2)S(N3CCCCC3)(=O)=O)=O
InChi:	InChI=1S/C16H22N2O3S/c1-17-12-14(11-16(17)19)13-5-7-15(8-6-13)22(20,21)18-9-3-2-4-10-18/h5-8,14H,2-4,9-12H2,1H3/t14-/m0/s1
Definition date:	2020-02-17
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	(4R)-1-methyl-4-{4-[(piperidin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one

RLV

RLV
Name:	4-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-N-propylbenzene-1-sulfonamide
Formula:	C14 H20 N2 O3 S
SMILES:	CN2C(CC(c1ccc(S(NCCC)(=O)=O)cc1)C2)=O
InChi:	InChI=1S/C14H20N2O3S/c1-3-8-15-20(18,19)13-6-4-11(5-7-13)12-9-14(17)16(2)10-12/h4-7,12,15H,3,8-10H2,1-2H3/t12-/m0/s1
Definition date:	2020-02-17
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	4-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-N-propylbenzene-1-sulfonamide

RLY

RLY
Name:	N,N-diethyl-3',4'-dimethoxy-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl][1,1'-biphenyl]-3-sulfonamide
Formula:	C23 H30 N2 O5 S
SMILES:	c3(ccc(C1CN(C)C(C1)=O)c(c2cc(c(cc2)OC)OC)c3)S(N(CC)CC)(=O)=O
InChi:	InChI=1S/C23H30N2O5S/c1-6-25(7-2)31(27,28)18-9-10-19(17-13-23(26)24(3)15-17)20(14-18)16-8-11-21(29-4)22(12-16)30-5/h8-12,14,17H,6-7,13,15H2,1-5H3/t17-/m1/s1
Definition date:	2020-02-17
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	N,N-diethyl-3',4'-dimethoxy-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl][1,1'-biphenyl]-3-sulfonamide

LW7

LW7
Name:	1-(2-phenylethyl)-3,4-dihydroisoquinoline
Formula:	C17 H17 N
SMILES:	C1Cc2ccccc2C(=N1)CCc3ccccc3
InChi:	InChI=1S/C17H17N/c1-2-6-14(7-3-1)10-11-17-16-9-5-4-8-15(16)12-13-18-17/h1-9H,10-13H2
Definition date:	2019-03-05
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	1-(2-phenylethyl)-3,4-dihydroisoquinoline

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