General Information of the Compound
| Compound ID |
CP0394640
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| Compound Name |
3-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]-N-(pyridin-2-ylmethyl)benzamide
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| Structure |
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| Formula |
C31H26ClN3O2
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| Molecular Weight |
508.021
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| Canonical SMILES |
Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1cccc(c1)C(=O)NCc1ccccn1
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| InChI |
InChI=1S/C31H26ClN3O2/c1-22-13-15-29(28-19-25(32)14-16-30(28)37-21-23-8-3-2-4-9-23)35(22)27-12-7-10-24(18-27)31(36)34-20-26-11-5-6-17-33-26/h2-19H,20-21H2,1H3,(H,34,36)
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| InChIKey |
DXWANXBSPGSRLA-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