General Information of the Compound
| Compound ID |
CP0481466
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| Compound Name |
3-[(4-methylpiperazin-1-yl)methyl]-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide
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| Structure |
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| Formula |
C31H39N5O
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| Molecular Weight |
497.687
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| Canonical SMILES |
CN1CCN(Cc2cccc(c2)C(=O)NCc2cccc(c2)-c2cccc(CN3CCNCC3)c2)CC1
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| InChI |
InChI=1S/C31H39N5O/c1-34-15-17-36(18-16-34)24-27-7-4-10-30(21-27)31(37)33-22-25-5-2-8-28(19-25)29-9-3-6-26(20-29)23-35-13-11-32-12-14-35/h2-10,19-21,32H,11-18,22-24H2,1H3,(H,33,37)
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| InChIKey |
AAADPBLPXCELKR-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