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W5C

W5C
Name:	2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-one
Formula:	C11 H11 N3 O S
SMILES:	Cn1cnnc1SCC(=O)c1ccccc1
InChi:	InChI=1S/C11H11N3OS/c1-14-8-12-13-11(14)16-7-10(15)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-one

KQN

KQN
Name:	6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide
Formula:	C13 H23 N5 O4
SMILES:	C[CH](O)[CH](NC(=O)[CH](C)NC(=O)CCCCCN=[N+]=[N-])C=O
InChi:	InChI=1S/C13H23N5O4/c1-9(13(22)17-11(8-19)10(2)20)16-12(21)6-4-3-5-7-15-18-14/h8-11,20H,3-7H2,1-2H3,(H,16,21)(H,17,22)/t9-,10+,11+/m0/s1
Synonyms:	Beta-lactone antibacterial agent (open form)
Definition date:	2022-06-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	6-azido-~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide

VQB

VQB
Name:	4-chloro-6-(pyrrolidin-1-yl)pyrimidin-5-amine
Formula:	C8 H11 Cl N4
SMILES:	Nc1c(ncnc1Cl)N1CCCC1
InChi:	InChI=1S/C8H11ClN4/c9-7-6(10)8(12-5-11-7)13-3-1-2-4-13/h5H,1-4,10H2
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	4-chloro-6-(pyrrolidin-1-yl)pyrimidin-5-amine

W5H

W5H
Name:	(1-methyl-1H-pyrrol-2-yl)acetic acid
Formula:	C7 H9 N O2
SMILES:	OC(=O)Cc1cccn1C
InChi:	InChI=1S/C7H9NO2/c1-8-4-2-3-6(8)5-7(9)10/h2-4H,5H2,1H3,(H,9,10)
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(1-methyl-1H-pyrrol-2-yl)acetic acid

VAV

VAV
Name:	[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-oxidanyl-oxidanylidene-boron
Formula:	C5 H5 B F3 N2 O2
SMILES:	Cn1nc(cc1[B](O)=O)C(F)(F)F
InChi:	InChI=1S/C5H5BF3N2O2/c1-11-4(6(12)13)2-3(10-11)5(7,8)9/h2,12H,1H3
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-oxidanyl-oxidanylidene-boron

VQF

VQF
Name:	(5S,6Z)-6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione
Formula:	C9 H15 N3 O2
SMILES:	CN1C(=O)C(CCC)C(=N)N(C)C1=O
InChi:	InChI=1S/C9H15N3O2/c1-4-5-6-7(10)11(2)9(14)12(3)8(6)13/h6,10H,4-5H2,1-3H3/b10-7-/t6-/m0/s1
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(5S,6Z)-6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione

W5L

W5L
Name:	(2R)-1-amino-3-(4-chloro-3-methylphenoxy)propan-2-ol
Formula:	C10 H14 Cl N O2
SMILES:	Cc1cc(OCC(O)CN)ccc1Cl
InChi:	InChI=1S/C10H14ClNO2/c1-7-4-9(2-3-10(7)11)14-6-8(13)5-12/h2-4,8,13H,5-6,12H2,1H3/t8-/m1/s1
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2R)-1-amino-3-(4-chloro-3-methylphenoxy)propan-2-ol

U39

U39
Name:	2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide
Formula:	C18 H20 N2 O4 S
SMILES:	O=S(=O)(Nc1ccccc1C(=O)Nc1ccccc1OCC)C1CC1
InChi:	InChI=1S/C18H20N2O4S/c1-2-24-17-10-6-5-9-16(17)19-18(21)14-7-3-4-8-15(14)20-25(22,23)13-11-12-13/h3-10,13,20H,2,11-12H2,1H3,(H,19,21)
Definition date:	2022-08-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	2-[(cyclopropanesulfonyl)amino]-N-(2-ethoxyphenyl)benzamide

W5Q

W5Q
Name:	N~2~-[(1S)-1-(2,4-difluorophenyl)ethyl]-N-ethylglycinamide
Formula:	C12 H16 F2 N2 O
SMILES:	Fc1cc(F)ccc1C(C)NCC(=O)NCC
InChi:	InChI=1S/C12H16F2N2O/c1-3-15-12(17)7-16-8(2)10-5-4-9(13)6-11(10)14/h4-6,8,16H,3,7H2,1-2H3,(H,15,17)/t8-/m0/s1
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N~2~-[(1S)-1-(2,4-difluorophenyl)ethyl]-N-ethylglycinamide

VQL

VQL
Name:	(6P)-4-(methylsulfanyl)-6-(2-methyl-1,3-thiazol-4-yl)-1,3,5-triazin-2-amine
Formula:	C8 H9 N5 S2
SMILES:	Cc1nc(cs1)c1nc(SC)nc(N)n1
InChi:	InChI=1S/C8H9N5S2/c1-4-10-5(3-15-4)6-11-7(9)13-8(12-6)14-2/h3H,1-2H3,(H2,9,11,12,13)
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(6P)-4-(methylsulfanyl)-6-(2-methyl-1,3-thiazol-4-yl)-1,3,5-triazin-2-amine

W5U

W5U
Name:	N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
Formula:	C11 H15 F N2 O
SMILES:	O=C(NCCN(C)C)c1ccc(F)cc1
InChi:	InChI=1S/C11H15FN2O/c1-14(2)8-7-13-11(15)9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,15)
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N-[2-(dimethylamino)ethyl]-4-fluorobenzamide

UW6

UW6
Name:	5-methylpyridazin-3(2H)-one
Formula:	C5 H6 N2 O
SMILES:	O=C1C=C(C)C=NN1
InChi:	InChI=1S/C5H6N2O/c1-4-2-5(8)7-6-3-4/h2-3H,1H3,(H,7,8)
Definition date:	2022-08-26
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	5-methylpyridazin-3(2H)-one

VQQ

VQQ
Name:	2-(5-chloro-2-methoxyphenyl)ethan-1-amine
Formula:	C9 H12 Cl N O
SMILES:	COc1ccc(Cl)cc1CCN
InChi:	InChI=1S/C9H12ClNO/c1-12-9-3-2-8(10)6-7(9)4-5-11/h2-3,6H,4-5,11H2,1H3
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	2-(5-chloro-2-methoxyphenyl)ethan-1-amine

WOR

WOR
Name:	N'-(2-hydroxy-5-methylphenyl)-N-methyl-N-(propan-2-yl)sulfuric diamide
Formula:	C11 H18 N2 O3 S
SMILES:	Oc1ccc(C)cc1NS(=O)(=O)N(C)C(C)C
InChi:	InChI=1S/C11H18N2O3S/c1-8(2)13(4)17(15,16)12-10-7-9(3)5-6-11(10)14/h5-8,12,14H,1-4H3
Definition date:	2022-10-06
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N'-(2-hydroxy-5-methylphenyl)-N-methyl-N-(propan-2-yl)sulfuric diamide

VB9

VB9
Name:	3-[2-(dimethylamino)ethyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
Formula:	C10 H13 N3 O S2
SMILES:	CN(C)CCN1C(=O)c2sccc2NC1=S
InChi:	InChI=1S/C10H13N3OS2/c1-12(2)4-5-13-9(14)8-7(3-6-16-8)11-10(13)15/h3,6H,4-5H2,1-2H3,(H,11,15)
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	3-[2-(dimethylamino)ethyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one

W5Z

W5Z
Name:	3-fluoro-N-[2-(1H-imidazol-1-yl)ethyl]benzamide
Formula:	C12 H12 F N3 O
SMILES:	Fc1cccc(c1)C(=O)NCCn1ccnc1
InChi:	InChI=1S/C12H12FN3O/c13-11-3-1-2-10(8-11)12(17)15-5-7-16-6-4-14-9-16/h1-4,6,8-9H,5,7H2,(H,15,17)
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	3-fluoro-N-[2-(1H-imidazol-1-yl)ethyl]benzamide

VQU

VQU
Name:	(2R,4S)-2-(pyridin-3-yl)-1,3-thiazolidine-4-carboxylic acid
Formula:	C9 H10 N2 O2 S
SMILES:	OC(=O)C1NC(SC1)c1cnccc1
InChi:	InChI=1S/C9H10N2O2S/c12-9(13)7-5-14-8(11-7)6-2-1-3-10-4-6/h1-4,7-8,11H,5H2,(H,12,13)/t7-,8-/m1/s1
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2R,4S)-2-(pyridin-3-yl)-1,3-thiazolidine-4-carboxylic acid

W63

W63
Name:	(2S)-N-(3-chlorophenyl)-2-[(2-hydroxyethyl)sulfanyl]propanamide
Formula:	C11 H14 Cl N O2 S
SMILES:	Clc1cc(NC(=O)C(C)SCCO)ccc1
InChi:	InChI=1S/C11H14ClNO2S/c1-8(16-6-5-14)11(15)13-10-4-2-3-9(12)7-10/h2-4,7-8,14H,5-6H2,1H3,(H,13,15)/t8-/m0/s1
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2S)-N-(3-chlorophenyl)-2-[(2-hydroxyethyl)sulfanyl]propanamide

VQZ

VQZ
Name:	N-[2-(aminomethyl)phenyl]methanesulfonamide
Formula:	C8 H12 N2 O2 S
SMILES:	O=S(C)(=O)Nc1ccccc1CN
InChi:	InChI=1S/C8H12N2O2S/c1-13(11,12)10-8-5-3-2-4-7(8)6-9/h2-5,10H,6,9H2,1H3
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N-[2-(aminomethyl)phenyl]methanesulfonamide

UWI

UWI
Name:	oxane-4-carboxamide
Formula:	C6 H11 N O2
SMILES:	NC(=O)C1CCOCC1
InChi:	InChI=1S/C6H11NO2/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2,(H2,7,8)
Definition date:	2022-08-26
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	oxane-4-carboxamide

VBI

VBI
Name:	N~2~-(3-chlorophenyl)-N~2~-(methanesulfonyl)-N-methylglycinamide
Formula:	C10 H13 Cl N2 O3 S
SMILES:	Clc1cc(ccc1)N(CC(=O)NC)S(C)(=O)=O
InChi:	InChI=1S/C10H13ClN2O3S/c1-12-10(14)7-13(17(2,15)16)9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3,(H,12,14)
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N~2~-(3-chlorophenyl)-N~2~-(methanesulfonyl)-N-methylglycinamide

VBK

VBK
Name:	[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
Formula:	C8 H11 N O S
SMILES:	NC[CH]1OCCc2sccc12
InChi:	InChI=1S/C8H11NOS/c9-5-7-6-2-4-11-8(6)1-3-10-7/h2,4,7H,1,3,5,9H2/t7-/m1/s1
Synonyms:	4H,6H,7H-thieno[3,2-c]pyran-4-ylmethanamine
Definition date:	2021-05-05
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	[(4~{S})-6,7-dihydro-4~{H}-thieno[3,2-c]pyran-4-yl]methanamine

W6C

W6C
Name:	N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide
Formula:	C10 H17 N3 O3
SMILES:	O=C(NC(C)COC)C=1CCC(=O)N(C)N=1
InChi:	InChI=1S/C10H17N3O3/c1-7(6-16-3)11-10(15)8-4-5-9(14)13(2)12-8/h7H,4-6H2,1-3H3,(H,11,15)/t7-/m0/s1
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N-[(2S)-1-methoxypropan-2-yl]-1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide

VBO

VBO
Name:	methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate
Formula:	C8 H10 N2 O4
SMILES:	O=C(CCN1C=CC(=O)NC1=O)OC
InChi:	InChI=1S/C8H10N2O4/c1-14-7(12)3-5-10-4-2-6(11)9-8(10)13/h2,4H,3,5H2,1H3,(H,9,11,13)
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate

VBQ

VBQ
Name:	2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid
Formula:	C16 H11 N O4
SMILES:	OC(=O)CNC(=O)c1cccc2C(=O)c3ccccc3c12
InChi:	InChI=1S/C16H11NO4/c18-13(19)8-17-16(21)12-7-3-6-11-14(12)9-4-1-2-5-10(9)15(11)20/h1-7H,8H2,(H,17,21)(H,18,19)
Definition date:	2021-05-05
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid

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