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V5O

V5O
Name:	(2E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoic acid
Formula:	C13 H13 N O3
SMILES:	O=C(O)/C=C/c1ccc(cc1)N1CCCC1=O
InChi:	InChI=1S/C13H13NO3/c15-12-2-1-9-14(12)11-6-3-10(4-7-11)5-8-13(16)17/h3-8H,1-2,9H2,(H,16,17)/b8-5+
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoic acid

W0C

W0C
Name:	N-(pentan-3-yl)-N'-(pyridin-3-yl)urea
Formula:	C11 H17 N3 O
SMILES:	O=C(Nc1cccnc1)NC(CC)CC
InChi:	InChI=1S/C11H17N3O/c1-3-9(4-2)13-11(15)14-10-6-5-7-12-8-10/h5-9H,3-4H2,1-2H3,(H2,13,14,15)
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N-(pentan-3-yl)-N'-(pyridin-3-yl)urea

W0N

W0N
Name:	N-(2-methylpentan-2-yl)-1H-pyrazole-3-carboxamide
Formula:	C10 H17 N3 O
SMILES:	O=C(NC(C)(C)CCC)c1cc[NH]n1
InChi:	InChI=1S/C10H17N3O/c1-4-6-10(2,3)12-9(14)8-5-7-11-13-8/h5,7H,4,6H2,1-3H3,(H,11,13)(H,12,14)
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N-(2-methylpentan-2-yl)-1H-pyrazole-3-carboxamide

W0R

W0R
Name:	3-[(2-methylpropyl)sulfanyl]-N-(pyridin-3-yl)propanamide
Formula:	C12 H18 N2 O S
SMILES:	O=C(Nc1cccnc1)CCSCC(C)C
InChi:	InChI=1S/C12H18N2OS/c1-10(2)9-16-7-5-12(15)14-11-4-3-6-13-8-11/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,14,15)
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	3-[(2-methylpropyl)sulfanyl]-N-(pyridin-3-yl)propanamide

V6I

V6I
Name:	N-(2-fluorophenyl)methanesulfonamide
Formula:	C7 H8 F N O2 S
SMILES:	O=S(C)(=O)Nc1ccccc1F
InChi:	InChI=1S/C7H8FNO2S/c1-12(10,11)9-7-5-3-2-4-6(7)8/h2-5,9H,1H3
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N-(2-fluorophenyl)methanesulfonamide

V6R

V6R
Name:	(2S)-2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide
Formula:	C12 H17 F N2 O
SMILES:	Fc1ccccc1CN(C)C(=O)C(N)CC
InChi:	InChI=1S/C12H17FN2O/c1-3-11(14)12(16)15(2)8-9-6-4-5-7-10(9)13/h4-7,11H,3,8,14H2,1-2H3/t11-/m0/s1
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2S)-2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide

W18

W18
Name:	4-amino-N-[(2R)-1-hydroxybutan-2-yl]benzamide
Formula:	C11 H16 N2 O2
SMILES:	O=C(NC(CC)CO)c1ccc(N)cc1
InChi:	InChI=1S/C11H16N2O2/c1-2-10(7-14)13-11(15)8-3-5-9(12)6-4-8/h3-6,10,14H,2,7,12H2,1H3,(H,13,15)/t10-/m1/s1
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	4-amino-N-[(2R)-1-hydroxybutan-2-yl]benzamide

V6Z

V6Z
Name:	methyl N-(2-chlorobenzoyl)glycinate
Formula:	C10 H10 Cl N O3
SMILES:	O=C(NCC(=O)OC)c1ccccc1Cl
InChi:	InChI=1S/C10H10ClNO3/c1-15-9(13)6-12-10(14)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H,12,14)
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	methyl N-(2-chlorobenzoyl)glycinate

W1E

W1E
Name:	2-methylpropyl [(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]acetate
Formula:	C10 H16 O4 S
SMILES:	O=S1(=O)C=CC(CC(=O)OCC(C)C)C1
InChi:	InChI=1S/C10H16O4S/c1-8(2)6-14-10(11)5-9-3-4-15(12,13)7-9/h3-4,8-9H,5-7H2,1-2H3/t9-/m0/s1
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	2-methylpropyl [(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]acetate

V73

V73
Name:	N-(2-hydroxyethyl)-N-methyl-2-phenylacetamide
Formula:	C11 H15 N O2
SMILES:	O=C(Cc1ccccc1)N(C)CCO
InChi:	InChI=1S/C11H15NO2/c1-12(7-8-13)11(14)9-10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N-(2-hydroxyethyl)-N-methyl-2-phenylacetamide

W1I

W1I
Name:	N'-(2-bromophenyl)-N,N-dimethylsulfuric diamide
Formula:	C8 H11 Br N2 O2 S
SMILES:	Brc1ccccc1NS(=O)(=O)N(C)C
InChi:	InChI=1S/C8H11BrN2O2S/c1-11(2)14(12,13)10-8-6-4-3-5-7(8)9/h3-6,10H,1-2H3
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N'-(2-bromophenyl)-N,N-dimethylsulfuric diamide

QDX

QDX
Name:	(2P)-4-({6-[({[(3aS,4R,7R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)amino]hexyl}carbamoyl)-2-{[4aP,9(9a)P]-6-hydroxy-3-oxo-3H-xanthen-9-yl}benzoic acid
Formula:	C37 H40 N8 O10
SMILES:	NC=1NC2C(N=C(N)N3CCC(O)(O)C23N=1)COC(=O)NCCCCCCNC(=O)c1cc(C=2c3ccc(O)cc3OC3=CC(=O)C=CC=23)c(cc1)C(=O)O
InChi:	InChI=1S/C37H40N8O10/c38-33-43-30-26(42-34(39)45-14-11-36(52,53)37(30,45)44-33)18-54-35(51)41-13-4-2-1-3-12-40-31(48)19-5-8-22(32(49)50)25(15-19)29-23-9-6-20(46)16-27(23)55-28-17-21(47)7-10-24(28)29/h5-10,15-17,26,30,46,52-53H,1-4,11-14,18H2,(H2,39,42)(H,40,48)(H,41,51)(H,49,50)(H3,38,43,44)/t26-,30-,37-/m0/s1
Definition date:	2022-06-07
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2P)-4-({6-[({[(3aS,4R,7R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)amino]hexyl}carbamoyl)-2-{[4aP,9(9a)P]-6-hydroxy-3-oxo-3H-xanthen-9-yl}benzoic acid

W1N

W1N
Name:	(3S)-3-amino-4-(2-fluorophenyl)butanoic acid
Formula:	C10 H12 F N O2
SMILES:	Fc1ccccc1CC(N)CC(=O)O
InChi:	InChI=1S/C10H12FNO2/c11-9-4-2-1-3-7(9)5-8(12)6-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(3S)-3-amino-4-(2-fluorophenyl)butanoic acid

V7C

V7C
Name:	N-[(2R)-2-cyanopropyl]benzamide
Formula:	C11 H12 N2 O
SMILES:	O=C(NCC(C)C#N)c1ccccc1
InChi:	InChI=1S/C11H12N2O/c1-9(7-12)8-13-11(14)10-5-3-2-4-6-10/h2-6,9H,8H2,1H3,(H,13,14)/t9-/m0/s1
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N-[(2R)-2-cyanopropyl]benzamide

V7L

V7L
Name:	N,N~2~-dimethyl-N-(pyridin-2-yl)glycinamide
Formula:	C9 H13 N3 O
SMILES:	CN(C(=O)CNC)c1ccccn1
InChi:	InChI=1S/C9H13N3O/c1-10-7-9(13)12(2)8-5-3-4-6-11-8/h3-6,10H,7H2,1-2H3
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N,N~2~-dimethyl-N-(pyridin-2-yl)glycinamide

W25

W25
Name:	(2R)-(3,4-difluorophenyl)(hydroxy)acetic acid
Formula:	C8 H6 F2 O3
SMILES:	Fc1ccc(cc1F)C(O)C(=O)O
InChi:	InChI=1S/C8H6F2O3/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,11H,(H,12,13)/t7-/m1/s1
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2R)-(3,4-difluorophenyl)(hydroxy)acetic acid

W2B

W2B
Name:	N-cyclohexyl-2-(1H-pyrazol-1-yl)acetamide
Formula:	C11 H17 N3 O
SMILES:	O=C(NC1CCCCC1)Cn1cccn1
InChi:	InChI=1S/C11H17N3O/c15-11(9-14-8-4-7-12-14)13-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,13,15)
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N-cyclohexyl-2-(1H-pyrazol-1-yl)acetamide

V7X

V7X
Name:	1-[2-(pyrrolidin-1-yl)pyridin-3-yl]methanamine
Formula:	C10 H15 N3
SMILES:	NCc1cccnc1N1CCCC1
InChi:	InChI=1S/C10H15N3/c11-8-9-4-3-5-12-10(9)13-6-1-2-7-13/h3-5H,1-2,6-8,11H2
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	1-[2-(pyrrolidin-1-yl)pyridin-3-yl]methanamine

V86

V86
Name:	2-bromo-N-ethylbenzamide
Formula:	C9 H10 Br N O
SMILES:	O=C(NCC)c1ccccc1Br
InChi:	InChI=1S/C9H10BrNO/c1-2-11-9(12)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3,(H,11,12)
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	2-bromo-N-ethylbenzamide

W2O

W2O
Name:	D-phenylalaninamide
Formula:	C9 H12 N2 O
SMILES:	NC(Cc1ccccc1)C(N)=O
InChi:	InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m1/s1
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	D-phenylalaninamide

JU0

JU0
Name:	(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(5-bromanylpyridin-3-yl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
Formula:	C19 H16 Br F3 N4 O4 S
SMILES:	OC[CH]1O[CH](Sc2cncc(Br)c2)[CH](O)[CH]([CH]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4
InChi:	InChI=1S/C19H16BrF3N4O4S/c20-9-3-10(5-24-4-9)32-19-18(30)16(17(29)14(7-28)31-19)27-6-13(25-26-27)8-1-11(21)15(23)12(22)2-8/h1-6,14,16-19,28-30H,7H2/t14-,16+,17+,18-,19-/m1/s1
Synonyms:	5-Bromopyridin-3-yl 3-deoxy-3-[4-(3,4,5-trifluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-alpha-D-galactopyranoside
Definition date:	2022-05-09
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(5-bromanylpyridin-3-yl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol

W2U

W2U
Name:	(2S)-2-phenoxypropanehydrazide
Formula:	C9 H12 N2 O2
SMILES:	CC(Oc1ccccc1)C(=O)NN
InChi:	InChI=1S/C9H12N2O2/c1-7(9(12)11-10)13-8-5-3-2-4-6-8/h2-7H,10H2,1H3,(H,11,12)/t7-/m0/s1
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2S)-2-phenoxypropanehydrazide

W36

W36
Name:	2-amino-N-(3-fluoro-4-methylphenyl)ethane-1-sulfonamide
Formula:	C9 H13 F N2 O2 S
SMILES:	O=S(=O)(Nc1ccc(C)c(F)c1)CCN
InChi:	InChI=1S/C9H13FN2O2S/c1-7-2-3-8(6-9(7)10)12-15(13,14)5-4-11/h2-3,6,12H,4-5,11H2,1H3
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	2-amino-N-(3-fluoro-4-methylphenyl)ethane-1-sulfonamide

R7X

R7X
Name:	1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide
Formula:	C20 H20 Br N3 O3
SMILES:	O=C(Nc1cccc(Br)n1)C1CCCN1C(=O)Cc1cccc(c1)C(C)=O
InChi:	InChI=1S/C20H20BrN3O3/c1-13(25)15-6-2-5-14(11-15)12-19(26)24-10-4-7-16(24)20(27)23-18-9-3-8-17(21)22-18/h2-3,5-6,8-9,11,16H,4,7,10,12H2,1H3,(H,22,23,27)/t16-/m0/s1
Definition date:	2022-06-22
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide

QIE

QIE
Name:	N-(6-bromopyridin-2-yl)-1-[(3-cyanophenyl)acetyl]-L-prolinamide
Formula:	C19 H17 Br N4 O2
SMILES:	O=C(Nc1cccc(Br)n1)C1CCCN1C(=O)Cc1cccc(C#N)c1
InChi:	InChI=1S/C19H17BrN4O2/c20-16-7-2-8-17(22-16)23-19(26)15-6-3-9-24(15)18(25)11-13-4-1-5-14(10-13)12-21/h1-2,4-5,7-8,10,15H,3,6,9,11H2,(H,22,23,26)/t15-/m0/s1
Definition date:	2022-06-10
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N-(6-bromopyridin-2-yl)-1-[(3-cyanophenyl)acetyl]-L-prolinamide

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