General Information of the Compound
| Compound ID |
CP0538714
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| Compound Name |
5-[2-[(4-methylpiperazin-1-yl)methyl]anilino]-1-N,3-N-bis(2-piperidin-1-ylethyl)benzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C34H51N7O2
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| Molecular Weight |
589.829
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| Canonical SMILES |
CN1CCN(Cc2ccccc2Nc2cc(cc(c2)C(=O)NCCN2CCCCC2)C(=O)NCCN2CCCCC2)CC1
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| InChI |
InChI=1S/C34H51N7O2/c1-38-20-22-41(23-21-38)27-28-10-4-5-11-32(28)37-31-25-29(33(42)35-12-18-39-14-6-2-7-15-39)24-30(26-31)34(43)36-13-19-40-16-8-3-9-17-40/h4-5,10-11,24-26,37H,2-3,6-9,12-23,27H2,1H3,(H,35,42)(H,36,43)
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| InChIKey |
KIFRUKXULVGDAJ-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