General Information of the Compound
| Compound ID |
CP0506307
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| Compound Name |
N-[4-(4-benzoylpiperazin-1-yl)-3-methylphenyl]-2-methyl-2-phenylpropanamide
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| Structure |
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| Formula |
C28H31N3O2
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| Molecular Weight |
441.575
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| Canonical SMILES |
Cc1cc(NC(=O)C(C)(C)c2ccccc2)ccc1N1CCN(CC1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C28H31N3O2/c1-21-20-24(29-27(33)28(2,3)23-12-8-5-9-13-23)14-15-25(21)30-16-18-31(19-17-30)26(32)22-10-6-4-7-11-22/h4-15,20H,16-19H2,1-3H3,(H,29,33)
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| InChIKey |
GEZBRVSBCUIGJK-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