General Information of the Compound
| Compound ID |
CP0500392
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| Compound Name |
2-[4-(2-chlorophenoxy)phenyl]-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C24H17ClN4O2S
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| Molecular Weight |
460.946
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| Canonical SMILES |
Clc1ccccc1Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1nccs1
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| InChI |
InChI=1S/C24H17ClN4O2S/c25-18-3-1-2-4-21(18)31-17-8-5-15(6-9-17)23-28-19-10-7-16(13-20(19)29-23)24(30)27-14-22-26-11-12-32-22/h1-13H,14H2,(H,27,30)(H,28,29)
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| InChIKey |
ONAJXVCYMGATIT-UHFFFAOYSA-N
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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: PT01589, Acyl-CoA desaturase 1
Protein ID: PT01587, Stearoyl-CoA desaturase