General Information of the Compound
| Compound ID |
CP0379510
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| Compound Name |
2-chloro-N-(2-{4-[(2-methylbenzene)amido]phenyl}-1H-1,3-benzodiazol-5-yl)benzamide
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| Structure |
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| Formula |
C28H21ClN4O2
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| Molecular Weight |
480.955
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| Canonical SMILES |
Cc1ccccc1C(=O)Nc1ccc(cc1)-c1nc2ccc(NC(=O)c3ccccc3Cl)cc2[nH]1
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| InChI |
InChI=1S/C28H21ClN4O2/c1-17-6-2-3-7-21(17)27(34)30-19-12-10-18(11-13-19)26-32-24-15-14-20(16-25(24)33-26)31-28(35)22-8-4-5-9-23(22)29/h2-16H,1H3,(H,30,34)(H,31,35)(H,32,33)
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| InChIKey |
OQNXRKFQEIPFTF-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