General Information of the Compound
| Compound ID |
CP0532063
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| Compound Name |
4-[(R)-amino(phenyl)methyl]-N-(1,3-benzothiazol-2-yl)benzamide
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| Structure |
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| Formula |
C21H17N3OS
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| Molecular Weight |
359.454
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| Canonical SMILES |
N[C@H](c1ccccc1)c1ccc(cc1)C(=O)Nc1nc2ccccc2s1
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| InChI |
InChI=1S/C21H17N3OS/c22-19(14-6-2-1-3-7-14)15-10-12-16(13-11-15)20(25)24-21-23-17-8-4-5-9-18(17)26-21/h1-13,19H,22H2,(H,23,24,25)/t19-/m1/s1
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| InChIKey |
NJGDCFHXTIVBSQ-LJQANCHMSA-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