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VJI
VJI
Name:(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine
Formula:C10 H14 N2 O2
SMILES:NCC(N)c1ccc2OCCOc2c1
InChi:InChI=1S/C10H14N2O2/c11-6-8(12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5,8H,3-4,6,11-12H2/t8-/m0/s1
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine
VY2
VY2
Name:ethyl (3-methylanilino)(oxo)acetate
Formula:C11 H13 N O3
SMILES:O=C(Nc1cc(C)ccc1)C(=O)OCC
InChi:InChI=1S/C11H13NO3/c1-3-15-11(14)10(13)12-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H,12,13)
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:ethyl (3-methylanilino)(oxo)acetate
VY6
VY6
Name:2-[(morpholin-4-yl)methyl]furan-3-carboxylic acid
Formula:C10 H13 N O4
SMILES:O=C(O)c1ccoc1CN1CCOCC1
InChi:InChI=1S/C10H13NO4/c12-10(13)8-1-4-15-9(8)7-11-2-5-14-6-3-11/h1,4H,2-3,5-7H2,(H,12,13)
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:2-[(morpholin-4-yl)methyl]furan-3-carboxylic acid
VJO
VJO
Name:N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
Formula:C9 H11 N O4 S
SMILES:CS(=O)(=O)Nc1ccc2OCCOc2c1
InChi:InChI=1S/C9H11NO4S/c1-15(11,12)10-7-2-3-8-9(6-7)14-5-4-13-8/h2-3,6,10H,4-5H2,1H3
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
VYB
VYB
Name:2-{[(3-bromophenyl)methyl]amino}ethan-1-ol
Formula:C9 H12 Br N O
SMILES:Brc1cc(CNCCO)ccc1
InChi:InChI=1S/C9H12BrNO/c10-9-3-1-2-8(6-9)7-11-4-5-12/h1-3,6,11-12H,4-5,7H2
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:2-{[(3-bromophenyl)methyl]amino}ethan-1-ol
VJY
VJY
Name:N-[(5-acetylthiophen-2-yl)methyl]acetamide
Formula:C9 H11 N O2 S
SMILES:O=C(C)NCc1ccc(s1)C(C)=O
InChi:InChI=1S/C9H11NO2S/c1-6(11)9-4-3-8(13-9)5-10-7(2)12/h3-4H,5H2,1-2H3,(H,10,12)
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:N-[(5-acetylthiophen-2-yl)methyl]acetamide
WTN
WTN
Name:(6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
Formula:C20 H25 N5 O4 S
SMILES:O=C(Nc1c2CCCc2cc2CCCc21)NS(=O)(=O)c1cnn2CC(COc12)NC
InChi:InChI=1S/C20H25N5O4S/c1-21-14-10-25-19(29-11-14)17(9-22-25)30(27,28)24-20(26)23-18-15-6-2-4-12(15)8-13-5-3-7-16(13)18/h8-9,14,21H,2-7,10-11H2,1H3,(H2,23,24,26)/t14-/m0/s1
Definition date:2022-10-18
Last modified:2022-10-28
Release date:2022-11-02
Identifier:(6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
VYO
VYO
Name:methyl [(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
Formula:C5 H7 N3 O2 S2
SMILES:O=C(OC)CSc1nnc(N)s1
InChi:InChI=1S/C5H7N3O2S2/c1-10-3(9)2-11-5-8-7-4(6)12-5/h2H2,1H3,(H2,6,7)
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:methyl [(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
VYU
VYU
Name:4-(4-ethylpiperazin-1-yl)aniline
Formula:C12 H19 N3
SMILES:CCN1CCN(CC1)c1ccc(N)cc1
InChi:InChI=1S/C12H19N3/c1-2-14-7-9-15(10-8-14)12-5-3-11(13)4-6-12/h3-6H,2,7-10,13H2,1H3
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:4-(4-ethylpiperazin-1-yl)aniline
VKF
VKF
Name:4-(difluoromethyl)benzoic acid
Formula:C8 H6 F2 O2
SMILES:FC(F)c1ccc(cc1)C(=O)O
InChi:InChI=1S/C8H6F2O2/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,7H,(H,11,12)
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:4-(difluoromethyl)benzoic acid
VZ3
VZ3
Name:3-bromo-4-methoxy-N-methylbenzene-1-sulfonamide
Formula:C8 H10 Br N O3 S
SMILES:COc1ccc(cc1Br)S(=O)(=O)NC
InChi:InChI=1S/C8H10BrNO3S/c1-10-14(11,12)6-3-4-8(13-2)7(9)5-6/h3-5,10H,1-2H3
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:3-bromo-4-methoxy-N-methylbenzene-1-sulfonamide
VZ9
VZ9
Name:2-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}ethan-1-ol
Formula:C13 H19 F N2 O
SMILES:OCCN1CCN(CC1)Cc1ccc(F)cc1
InChi:InChI=1S/C13H19FN2O/c14-13-3-1-12(2-4-13)11-16-7-5-15(6-8-16)9-10-17/h1-4,17H,5-11H2
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:2-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}ethan-1-ol
VKO
VKO
Name:1-{[(2-methylphenyl)methyl]carbamoyl}cyclopropane-1-carboxylic acid
Formula:C13 H15 N O3
SMILES:O=C(O)C1(CC1)C(=O)NCc1ccccc1C
InChi:InChI=1S/C13H15NO3/c1-9-4-2-3-5-10(9)8-14-11(15)13(6-7-13)12(16)17/h2-5H,6-8H2,1H3,(H,14,15)(H,16,17)
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:1-{[(2-methylphenyl)methyl]carbamoyl}cyclopropane-1-carboxylic acid
VZH
VZH
Name:4-methoxy-N-methylbenzamide
Formula:C9 H11 N O2
SMILES:COc1ccc(cc1)C(=O)NC
InChi:InChI=1S/C9H11NO2/c1-10-9(11)7-3-5-8(12-2)6-4-7/h3-6H,1-2H3,(H,10,11)
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:4-methoxy-N-methylbenzamide
VKX
VKX
Name:(5R,8aS)-8a-phenylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one
Formula:C13 H16 N2 O
SMILES:O=C1CCC2(NCCCN12)c1ccccc1
InChi:InChI=1S/C13H16N2O/c16-12-7-8-13(11-5-2-1-3-6-11)14-9-4-10-15(12)13/h1-3,5-6,14H,4,7-10H2/t13-/m0/s1
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:(5R,8aS)-8a-phenylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one
VZL
VZL
Name:N-{2-[(4R)-8-methylimidazo[1,2-a]pyridin-2-yl]ethyl}acetamide
Formula:C12 H15 N3 O
SMILES:CC(=O)NCCc1cn2cccc(C)c2n1
InChi:InChI=1S/C12H15N3O/c1-9-4-3-7-15-8-11(14-12(9)15)5-6-13-10(2)16/h3-4,7-8H,5-6H2,1-2H3,(H,13,16)
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:N-{2-[(4R)-8-methylimidazo[1,2-a]pyridin-2-yl]ethyl}acetamide
M9I
M9I
Name:N-(alpha-L-Fucopyranosyl)benzamide
Formula:C13 H17 N O5
SMILES:C[CH]1O[CH](NC(=O)c2ccccc2)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C13H17NO5/c1-7-9(15)10(16)11(17)13(19-7)14-12(18)8-5-3-2-4-6-8/h2-7,9-11,13,15-17H,1H3,(H,14,18)/t7-,9+,10+,11-,13+/m0/s1
Synonyms:~{N}-[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide
Definition date:2022-07-26
Last modified:2022-10-28
Release date:2022-11-02
Identifier:~{N}-[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide
VL8
VL8
Name:(2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide
Formula:C11 H13 Cl2 N O2
SMILES:Clc1ccc(OC(CC)C(=O)NC)cc1Cl
InChi:InChI=1S/C11H13Cl2NO2/c1-3-10(11(15)14-2)16-7-4-5-8(12)9(13)6-7/h4-6,10H,3H2,1-2H3,(H,14,15)/t10-/m1/s1
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:(2R)-2-(3,4-dichlorophenoxy)-N-methylbutanamide
OAU
OAU
Name:3-[(1~{S},2~{R},3~{S},6~{S})-3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-yl-cyclohexyl]-1~{H}-indole
Formula:C21 H24 N2
SMILES:CC(=C)[CH]1CC[C](C)(C=C)[CH]([N+]#[C-])[CH]1c2c[nH]c3ccccc23
InChi:InChI=1S/C21H24N2/c1-6-21(4)12-11-15(14(2)3)19(20(21)22-5)17-13-23-18-10-8-7-9-16(17)18/h6-10,13,15,19-20,23H,1-2,11-12H2,3-4H3/t15-,19+,20-,21-/m1/s1
Synonyms:12-epi-hapalindole C isoniltrile
Definition date:2022-09-01
Last modified:2022-10-28
Release date:2022-11-02
Identifier:3-[(1~{S},2~{R},3~{S},6~{S})-3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-yl-cyclohexyl]-1~{H}-indole
VZU
VZU
Name:ethyl (4-aminophenyl)methylcarbamate
Formula:C10 H14 N2 O2
SMILES:Nc1ccc(cc1)N(C)C(=O)OCC
InChi:InChI=1S/C10H14N2O2/c1-3-14-10(13)12(2)9-6-4-8(11)5-7-9/h4-7H,3,11H2,1-2H3
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:ethyl (4-aminophenyl)methylcarbamate
W00
W00
Name:2-[(2-amino-2-oxoethyl)sulfanyl]-N-(4-fluorophenyl)acetamide
Formula:C10 H11 F N2 O2 S
SMILES:O=C(Nc1ccc(F)cc1)CSCC(N)=O
InChi:InChI=1S/C10H11FN2O2S/c11-7-1-3-8(4-2-7)13-10(15)6-16-5-9(12)14/h1-4H,5-6H2,(H2,12,14)(H,13,15)
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:2-[(2-amino-2-oxoethyl)sulfanyl]-N-(4-fluorophenyl)acetamide
VLI
VLI
Name:(3S)-3-hydroxy-6-methyl-3-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one
Formula:C10 H8 F3 N O2
SMILES:FC(F)(F)C1(O)c2ccc(C)cc2NC1=O
InChi:InChI=1S/C10H8F3NO2/c1-5-2-3-6-7(4-5)14-8(15)9(6,16)10(11,12)13/h2-4,16H,1H3,(H,14,15)/t9-/m0/s1
Definition date:2022-08-29
Last modified:2022-10-28
Release date:2022-11-02
Identifier:(3S)-3-hydroxy-6-methyl-3-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one
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
W2I
W2I
Name:1-[(3-aminophenyl)methyl]piperidin-4-ol
Formula:C12 H18 N2 O
SMILES:Nc1cc(CN2CCC(O)CC2)ccc1
InChi:InChI=1S/C12H18N2O/c13-11-3-1-2-10(8-11)9-14-6-4-12(15)5-7-14/h1-3,8,12,15H,4-7,9,13H2
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:1-[(3-aminophenyl)methyl]piperidin-4-ol
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

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