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W4R
W4R
Name:methyl N-[(2,6-dichlorophenyl)acetyl]-N-methylglycinate
Formula:C12 H13 Cl2 N O3
SMILES:Clc1cccc(Cl)c1CC(=O)N(C)CC(=O)OC
InChi:InChI=1S/C12H13Cl2NO3/c1-15(7-12(17)18-2)11(16)6-8-9(13)4-3-5-10(8)14/h3-5H,6-7H2,1-2H3
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:methyl N-[(2,6-dichlorophenyl)acetyl]-N-methylglycinate
W4W
W4W
Name:({2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl}sulfanyl)acetonitrile
Formula:C11 H18 N2 O S
SMILES:O=C(CSCC#N)N1CCCCC1CC
InChi:InChI=1S/C11H18N2OS/c1-2-10-5-3-4-7-13(10)11(14)9-15-8-6-12/h10H,2-5,7-9H2,1H3/t10-/m0/s1
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:({2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl}sulfanyl)acetonitrile
UUQ
UUQ
Name:4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile
Formula:C23 H14 F3 N3 O3
SMILES:Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)C(F)(F)F)c4ccccc4c2C#N
InChi:InChI=1S/C23H14F3N3O3/c1-13-6-2-5-9-18(13)32-19-10-17(15-8-4-3-7-14(15)16(19)12-27)29-21(30)11-20(23(24,25)26)28-22(29)31/h2-11H,1H3,(H,28,31)
Synonyms:4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile
Definition date:2021-03-21
Last modified:2022-10-28
Release date:2022-11-02
Identifier:4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile
W50
W50
Name:(2S)-1-(2-bromophenoxy)-3-(pyrrolidin-1-yl)propan-2-ol
Formula:C13 H18 Br N O2
SMILES:OC(COc1ccccc1Br)CN1CCCC1
InChi:InChI=1S/C13H18BrNO2/c14-12-5-1-2-6-13(12)17-10-11(16)9-15-7-3-4-8-15/h1-2,5-6,11,16H,3-4,7-10H2/t11-/m0/s1
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:(2S)-1-(2-bromophenoxy)-3-(pyrrolidin-1-yl)propan-2-ol
W55
W55
Name:2H-1-benzopyran-3-carboxylic acid
Formula:C10 H8 O3
SMILES:O=C(O)C1=Cc2ccccc2OC1
InChi:InChI=1S/C10H8O3/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H,11,12)
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:2H-1-benzopyran-3-carboxylic acid
UUZ
UUZ
Name:3-[4-chloranyl-3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-5~{H}-pyrimidine-2,4-dione
Formula:C22 H14 Cl F3 N2 O3
SMILES:Cc1ccccc1Oc2cc(N3C(=O)CC(=NC3=O)C(F)(F)F)c4ccccc4c2Cl
InChi:InChI=1S/C22H14ClF3N2O3/c1-12-6-2-5-9-16(12)31-17-10-15(13-7-3-4-8-14(13)20(17)23)28-19(29)11-18(22(24,25)26)27-21(28)30/h2-10H,11H2,1H3
Definition date:2021-03-22
Last modified:2022-10-28
Release date:2022-11-02
Identifier:3-[4-chloranyl-3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-5~{H}-pyrimidine-2,4-dione
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
UV5
UV5
Name:3-[2,6-bis(oxidanylidene)-4-(trifluoromethyl)-5~{H}-pyrimidin-1-yl]-~{N}-methyl-2-pyridin-2-yl-imidazo[1,2-a]pyridine-7-carboxamide
Formula:C19 H13 F3 N6 O3
SMILES:CNC(=O)c1ccn2c(c1)nc(c3ccccn3)c2N4C(=O)CC(=NC4=O)C(F)(F)F
InChi:InChI=1S/C19H13F3N6O3/c1-23-16(30)10-5-7-27-13(8-10)26-15(11-4-2-3-6-24-11)17(27)28-14(29)9-12(19(20,21)22)25-18(28)31/h2-8H,9H2,1H3,(H,23,30)
Definition date:2021-03-22
Last modified:2022-10-28
Release date:2022-11-02
Identifier:3-[2,6-bis(oxidanylidene)-4-(trifluoromethyl)-5~{H}-pyrimidin-1-yl]-~{N}-methyl-2-pyridin-2-yl-imidazo[1,2-a]pyridine-7-carboxamide
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
UV9
UV9
Name:1-amino-4,4-dimethylcyclohexane-1-carboxamide
Formula:C9 H18 N2 O
SMILES:O=C(N)C1(N)CCC(C)(C)CC1
InChi:InChI=1S/C9H18N2O/c1-8(2)3-5-9(11,6-4-8)7(10)12/h3-6,11H2,1-2H3,(H2,10,12)
Definition date:2022-08-26
Last modified:2022-10-28
Release date:2022-11-02
Identifier:1-amino-4,4-dimethylcyclohexane-1-carboxamide
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
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
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
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
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
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
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
W6H
W6H
Name:methyl N-methyl-N-[(2E)-3-(thiophen-3-yl)prop-2-enoyl]glycinate
Formula:C11 H13 N O3 S
SMILES:O=C(/C=C/c1ccsc1)N(C)CC(=O)OC
InChi:InChI=1S/C11H13NO3S/c1-12(7-11(14)15-2)10(13)4-3-9-5-6-16-8-9/h3-6,8H,7H2,1-2H3/b4-3+
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:methyl N-methyl-N-[(2E)-3-(thiophen-3-yl)prop-2-enoyl]glycinate
W6L
W6L
Name:(3R)-3-amino-3-phenylpropanenitrile
Formula:C9 H10 N2
SMILES:NC(CC#N)c1ccccc1
InChi:InChI=1S/C9H10N2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9H,6,11H2/t9-/m1/s1
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:(3R)-3-amino-3-phenylpropanenitrile
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
UWR
UWR
Name:(2R)-amino(3-chlorophenyl)acetonitrile
Formula:C8 H7 Cl N2
SMILES:NC(C#N)c1cc(Cl)ccc1
InChi:InChI=1S/C8H7ClN2/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8H,11H2/t8-/m0/s1
Definition date:2022-08-26
Last modified:2022-10-28
Release date:2022-11-02
Identifier:(2R)-amino(3-chlorophenyl)acetonitrile
UXB
UXB
Name:(3S)-3-amino-3-(3-chlorophenyl)propan-1-ol
Formula:C9 H12 Cl N O
SMILES:NC(CCO)c1cc(Cl)ccc1
InChi:InChI=1S/C9H12ClNO/c10-8-3-1-2-7(6-8)9(11)4-5-12/h1-3,6,9,12H,4-5,11H2/t9-/m0/s1
Definition date:2022-08-26
Last modified:2022-10-28
Release date:2022-11-02
Identifier:(3S)-3-amino-3-(3-chlorophenyl)propan-1-ol
W7T
W7T
Name:N-(2-aminoethyl)-2-cyclohexylacetamide
Formula:C10 H20 N2 O
SMILES:O=C(CC1CCCCC1)NCCN
InChi:InChI=1S/C10H20N2O/c11-6-7-12-10(13)8-9-4-2-1-3-5-9/h9H,1-8,11H2,(H,12,13)
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:N-(2-aminoethyl)-2-cyclohexylacetamide
W7X
W7X
Name:1-(6-methylpyridin-2-yl)-1,4-diazepane
Formula:C11 H17 N3
SMILES:Cc1nc(ccc1)N1CCCNCC1
InChi:InChI=1S/C11H17N3/c1-10-4-2-5-11(13-10)14-8-3-6-12-7-9-14/h2,4-5,12H,3,6-9H2,1H3
Definition date:2022-09-02
Last modified:2022-10-28
Release date:2022-11-02
Identifier:1-(6-methylpyridin-2-yl)-1,4-diazepane
RQM
RQM
Name:Fe(3)-Ni(1)-S(4) cluster
Formula:Fe4 Ni S4
SMILES:[Fe]S[Fe].S1[Fe]S[Ni]S[Fe]1
InChi:InChI=1S/4Fe.Ni.4S
Definition date:2020-02-21
Last modified:2022-10-28
Release date:2022-11-02

243531

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