General Information of the Compound
| Compound ID |
CP0494562
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| Compound Name |
N-(3-methoxypropyl)-N-[[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methyl]-2-phenylacetamide
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| Structure |
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| Formula |
C31H39N3O2
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| Molecular Weight |
485.672
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| Canonical SMILES |
COCCCN(Cc1ccccc1-c1ccc(CN2CCN(C)CC2)cc1)C(=O)Cc1ccccc1
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| InChI |
InChI=1S/C31H39N3O2/c1-32-18-20-33(21-19-32)24-27-13-15-28(16-14-27)30-12-7-6-11-29(30)25-34(17-8-22-36-2)31(35)23-26-9-4-3-5-10-26/h3-7,9-16H,8,17-25H2,1-2H3
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| InChIKey |
OHQXAECFYLQFIR-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