General Information of the Compound
| Compound ID |
CP0420962
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| Compound Name |
4-[(R)-amino(phenyl)methyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
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| Structure |
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| Formula |
C22H19N3O2S
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| Molecular Weight |
389.48
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| Canonical SMILES |
COc1ccc2nc(NC(=O)c3ccc(cc3)[C@H](N)c3ccccc3)sc2c1
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| InChI |
InChI=1S/C22H19N3O2S/c1-27-17-11-12-18-19(13-17)28-22(24-18)25-21(26)16-9-7-15(8-10-16)20(23)14-5-3-2-4-6-14/h2-13,20H,23H2,1H3,(H,24,25,26)/t20-/m1/s1
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| InChIKey |
BHOBUXPHKZSABC-HXUWFJFHSA-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: PT01587, Stearoyl-CoA desaturase
Cell-based Assay