General Information of the Compound
| Compound ID |
CP0093021
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| Compound Name |
(5-Phenylsulfanyl-1H-benzoimidazol-2-yl)-carbamic acid methyl ester
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| Structure |
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| Formula |
C15H13N3O2S
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| Molecular Weight |
299.355
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| Canonical SMILES |
COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1
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| InChI |
InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)
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| InChIKey |
HDDSHPAODJUKPD-UHFFFAOYSA-N
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| CAS |
43210-67-9
53571-02-1
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT04880, Nuclear receptor subfamily 1 group I member 2
Protein ID: PT01552, Nuclear receptor subfamily 1 group I member 2