General Information of the Compound
| Compound ID |
CP0502038
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| Compound Name |
4-(4-aminophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
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| Structure |
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| Formula |
C28H34N4O2
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| Molecular Weight |
458.606
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(N)cc2)CC1
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| InChI |
InChI=1S/C28H34N4O2/c1-34-27-7-3-2-6-26(27)32-20-18-31(19-21-32)17-5-4-16-30-28(33)24-10-8-22(9-11-24)23-12-14-25(29)15-13-23/h2-3,6-15H,4-5,16-21,29H2,1H3,(H,30,33)
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| InChIKey |
YECOTWMMKZQQAE-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