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71C

71C
Name:	5-{[(3-phenoxyphenyl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid
Formula:	C33 H27 N O8
SMILES:	c1(c(cc(C(O)=O)c(c1)C(=O)O)C(O)=O)C(=O)N(Cc2cccc(c2)Oc3ccccc3)C4CCCc5ccccc45
InChi:	InChI=1S/C33H27NO8/c35-30(25-17-27(32(38)39)28(33(40)41)18-26(25)31(36)37)34(29-15-7-10-21-9-4-5-14-24(21)29)19-20-8-6-13-23(16-20)42-22-11-2-1-3-12-22/h1-6,8-9,11-14,16-18,29H,7,10,15,19H2,(H,36,37)(H,38,39)(H,40,41)/t29-/m0/s1
Synonyms:	antagonist A-317491
Definition date:	2016-08-10
Last modified:	2020-06-17
Release date:	2016-10-05
Identifier:	5-{[(3-phenoxyphenyl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid

71E

71E
Name:	DZ 2384
Formula:	C34 H36 F N5 O7
SMILES:	CC(C)[CH](O)C(=O)N[CH]1Cc2ccc3O[CH]4Nc5ccc(F)cc5[C]4(c6oc(nc6c7occ(CO)n7)[CH](NC1=O)C(C)(C)C)c3c2
InChi:	InChI=1S/C34H36FN5O7/c1-15(2)25(42)29(44)37-22-11-16-6-9-23-20(10-16)34(19-12-17(35)7-8-21(19)38-32(34)46-23)27-24(30-36-18(13-41)14-45-30)39-31(47-27)26(33(3,4)5)40-28(22)43/h6-10,12,14-15,22,25-26,32,38,41-42H,11,13H2,1-5H3,(H,37,44)(H,40,43)/t22-,25+,26+,32+,34-/m0/s1
Synonyms:	optimized synthetic derivative of diazonamide AB-5
Definition date:	2016-08-11
Last modified:	2020-06-17
Release date:	2016-11-30

71I

71I
Name:	(3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d] [1,3]thiazole-6,7-diol
Formula:	C11 H20 N2 O4 S
SMILES:	CCCCNC1=N[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2S1
InChi:	InChI=1S/C11H20N2O4S/c1-2-3-4-12-11-13-7-9(16)8(15)6(5-14)17-10(7)18-11/h6-10,14-16H,2-5H2,1H3,(H,12,13)/t6-,7-,8-,9-,10-/m1/s1
Synonyms:	Butylaminothiazoline
Definition date:	2015-10-21
Last modified:	2020-06-17
Release date:	2016-08-31
Identifier:	(3aR,5R,6S,7R,7aR)-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol

71Y

71Y
Name:	~{N}-[(1~{S},2~{S})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole -2-carboxamide
Formula:	C20 H23 Cl N2 O3
SMILES:	CCc1c([nH]c(C)c1C(C)=O)C(=O)N[CH]2[CH](O)CCc3ccc(Cl)cc23
InChi:	InChI=1S/C20H23ClN2O3/c1-4-14-17(11(3)24)10(2)22-19(14)20(26)23-18-15-9-13(21)7-5-12(15)6-8-16(18)25/h5,7,9,16,18,22,25H,4,6,8H2,1-3H3,(H,23,26)/t16-,18-/m0/s1
Synonyms:	I-p300
Definition date:	2016-08-14
Last modified:	2020-06-17
Release date:	2017-08-16
Identifier:	~{N}-[(1~{S},2~{S})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide

72E

72E
Name:	4-(2-methylphenyl)-benzenesulfonamide
Formula:	C13 H13 N O2 S
SMILES:	Cc1c(cccc1)c2ccc(S(=O)(=O)N)cc2
InChi:	InChI=1S/C13H13NO2S/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)17(14,15)16/h2-9H,1H3,(H2,14,15,16)
Synonyms:	2'-methyl[1,1'-biphenyl]-4-sulfonamide
Definition date:	2016-08-15
Last modified:	2020-06-17
Release date:	2016-12-21
Identifier:	2'-methyl[1,1'-biphenyl]-4-sulfonamide

72G

72G
Name:	4-(3-formylphenyl)-benzenesulfonamide
Formula:	C13 H11 N O3 S
SMILES:	O=Cc1cc(ccc1)c2ccc(S(=O)(=O)N)cc2
InChi:	InChI=1S/C13H11NO3S/c14-18(16,17)13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-9H,(H2,14,16,17)
Synonyms:	3'-formyl[1,1'-biphenyl]-4-sulfonamide
Definition date:	2016-08-15
Last modified:	2020-06-17
Release date:	2016-12-21
Identifier:	3'-formyl[1,1'-biphenyl]-4-sulfonamide

72H

72H
Name:	4-(3-quinolinyl)-benzenesulfonamide
Formula:	C15 H12 N2 O2 S
SMILES:	c2c1ccccc1ncc2c3ccc(S(=O)(=O)N)cc3
InChi:	InChI=1S/C15H12N2O2S/c16-20(18,19)14-7-5-11(6-8-14)13-9-12-3-1-2-4-15(12)17-10-13/h1-10H,(H2,16,18,19)
Synonyms:	4-(quinolin-3-yl)benzene-1-sulfonamide
Definition date:	2016-08-15
Last modified:	2020-06-17
Release date:	2016-12-21
Identifier:	4-(quinolin-3-yl)benzene-1-sulfonamide

UUJ

UUJ
Name:	5-bromo-2-hydroxybenzonitrile
Formula:	C7 H4 Br N O
SMILES:	c1(cc(c(cc1)O)C#N)Br
InChi:	InChI=1S/C7H4BrNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	5-bromo-2-hydroxybenzonitrile

UUM

UUM
Name:	5-methyl-N-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxamide
Formula:	C9 H10 N4 O2
SMILES:	N(c1cn(C)nc1)C(=O)c2noc(C)c2
InChi:	InChI=1S/C9H10N4O2/c1-6-3-8(12-15-6)9(14)11-7-4-10-13(2)5-7/h3-5H,1-2H3,(H,11,14)
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	5-methyl-N-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxamide

UUP

UUP
Name:	N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
Formula:	C10 H10 N4 O
SMILES:	n1n3cccnc3c(c1)C(NC2CC2)=O
InChi:	InChI=1S/C10H10N4O/c15-10(13-7-2-3-7)8-6-12-14-5-1-4-11-9(8)14/h1,4-7H,2-3H2,(H,13,15)
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide

UUS

UUS
Name:	4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one
Formula:	C7 H8 Br N O2
SMILES:	C=1C(Br)=CC(N(C=1)CCO)=O
InChi:	InChI=1S/C7H8BrNO2/c8-6-1-2-9(3-4-10)7(11)5-6/h1-2,5,10H,3-4H2
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one

UUV

UUV
Name:	4-bromo-1-(2-methoxyethyl)-1H-pyrazole
Formula:	C6 H9 Br N2 O
SMILES:	n1n(cc(c1)Br)CCOC
InChi:	InChI=1S/C6H9BrN2O/c1-10-3-2-9-5-6(7)4-8-9/h4-5H,2-3H2,1H3
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-bromo-1-(2-methoxyethyl)-1H-pyrazole

UUY

UUY
Name:	2-[methyl(pyridin-2-yl)amino]ethan-1-ol
Formula:	C8 H12 N2 O
SMILES:	n1ccccc1N(C)CCO
InChi:	InChI=1S/C8H12N2O/c1-10(6-7-11)8-4-2-3-5-9-8/h2-5,11H,6-7H2,1H3
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	2-[methyl(pyridin-2-yl)amino]ethan-1-ol

UV1

UV1
Name:	6-methoxy-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Formula:	C11 H13 N O2
SMILES:	c2c1NC(CCCc1c(OC)cc2)=O
InChi:	InChI=1S/C11H13NO2/c1-14-10-6-3-5-9-8(10)4-2-7-11(13)12-9/h3,5-6H,2,4,7H2,1H3,(H,12,13)
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	6-methoxy-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

UV7

UV7
Name:	N-[(1H-pyrazol-4-yl)methyl]acetamide
Formula:	C6 H9 N3 O
SMILES:	n1cc(cn1)CNC(C)=O
InChi:	InChI=1S/C6H9N3O/c1-5(10)7-2-6-3-8-9-4-6/h3-4H,2H2,1H3,(H,7,10)(H,8,9)
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	N-[(1H-pyrazol-4-yl)methyl]acetamide

UVA

UVA
Name:	N-methyl-2-(methylsulfonyl)aniline
Formula:	C8 H11 N O2 S
SMILES:	c1cc(S(C)(=O)=O)c(NC)cc1
InChi:	InChI=1S/C8H11NO2S/c1-9-7-5-3-4-6-8(7)12(2,10)11/h3-6,9H,1-2H3
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	N-methyl-2-(methylsulfonyl)aniline

UVG

UVG
Name:	N,N-dimethyl-1H-pyrazole-4-carboxamide
Formula:	C6 H9 N3 O
SMILES:	n1ncc(c1)C(N(C)C)=O
InChi:	InChI=1S/C6H9N3O/c1-9(2)6(10)5-3-7-8-4-5/h3-4H,1-2H3,(H,7,8)
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	N,N-dimethyl-1H-pyrazole-4-carboxamide

UVJ

UVJ
Name:	3-(2-methyl-1H-benzimidazol-1-yl)propanamide
Formula:	C11 H13 N3 O
SMILES:	n2(c1ccccc1nc2C)CCC(N)=O
InChi:	InChI=1S/C11H13N3O/c1-8-13-9-4-2-3-5-10(9)14(8)7-6-11(12)15/h2-5H,6-7H2,1H3,(H2,12,15)
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	3-(2-methyl-1H-benzimidazol-1-yl)propanamide

UVS

UVS
Name:	5-(methoxymethyl)-1,3,4-thiadiazol-2-amine
Formula:	C4 H7 N3 O S
SMILES:	n1nc(COC)sc1N
InChi:	InChI=1S/C4H7N3OS/c1-8-2-3-6-7-4(5)9-3/h2H2,1H3,(H2,5,7)
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	5-(methoxymethyl)-1,3,4-thiadiazol-2-amine

UVV

UVV
Name:	3-amino-1,6-dimethylpyridin-2(1H)-one
Formula:	C7 H10 N2 O
SMILES:	N1(C(C)=CC=C(C1=O)N)C
InChi:	InChI=1S/C7H10N2O/c1-5-3-4-6(8)7(10)9(5)2/h3-4H,8H2,1-2H3
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	3-amino-1,6-dimethylpyridin-2(1H)-one

UVY

UVY
Name:	2-(1-ethyl-1H-pyrazol-4-yl)ethan-1-ol
Formula:	C7 H12 N2 O
SMILES:	n1cc(CCO)cn1CC
InChi:	InChI=1S/C7H12N2O/c1-2-9-6-7(3-4-10)5-8-9/h5-6,10H,2-4H2,1H3
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	2-(1-ethyl-1H-pyrazol-4-yl)ethan-1-ol

UW7

UW7
Name:	(6S)-1-methyl-4,5,6,7-tetrahydro-1H-benzotriazole-6-carboxylic acid
Formula:	C8 H11 N3 O2
SMILES:	n2n(c1CC(C(O)=O)CCc1n2)C
InChi:	InChI=1S/C8H11N3O2/c1-11-7-4-5(8(12)13)2-3-6(7)9-10-11/h5H,2-4H2,1H3,(H,12,13)/t5-/m0/s1
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	(6S)-1-methyl-4,5,6,7-tetrahydro-1H-benzotriazole-6-carboxylic acid

U5A

U5A
Name:	[(2Z,3aS,4R,6Z,10aR)-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
Formula:	C10 H17 N7 O2
SMILES:	NC(=O)OCC2C1C3(N/C(N1)=N)N(/C(N2)=N)CCC3
InChi:	InChI=1S/C10H17N7O2/c11-7-15-6-5(4-19-9(13)18)14-8(12)17-3-1-2-10(6,17)16-7/h5-6H,1-4H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t5-,6-,10+/m0/s1
Definition date:	2020-04-23
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	[(2Z,3aS,4R,6Z,10aR)-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate

UWD

UWD
Name:	N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
Formula:	C8 H10 N4
SMILES:	n2c(n1ccccc1n2)CNC
InChi:	InChI=1S/C8H10N4/c1-9-6-8-11-10-7-4-2-3-5-12(7)8/h2-5,9H,6H2,1H3
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine

UWG

UWG
Name:	(1S)-1-(1-cyclopentyl-1H-pyrazol-4-yl)ethan-1-ol
Formula:	C10 H16 N2 O
SMILES:	n1(cc(C(C)O)cn1)C2CCCC2
InChi:	InChI=1S/C10H16N2O/c1-8(13)9-6-11-12(7-9)10-4-2-3-5-10/h6-8,10,13H,2-5H2,1H3/t8-/m0/s1
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	(1S)-1-(1-cyclopentyl-1H-pyrazol-4-yl)ethan-1-ol

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