General Information of the Compound
| Compound ID |
CP0416766
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| Compound Name |
1-N,3-N-bis(2-piperidin-1-ylethyl)-5-[2-(piperidin-1-ylmethyl)phenyl]benzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C34H49N5O2
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| Molecular Weight |
559.799
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| Canonical SMILES |
O=C(NCCN1CCCCC1)c1cc(cc(c1)-c1ccccc1CN1CCCCC1)C(=O)NCCN1CCCCC1
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| InChI |
InChI=1S/C34H49N5O2/c40-33(35-14-22-37-16-6-1-7-17-37)30-24-29(32-13-5-4-12-28(32)27-39-20-10-3-11-21-39)25-31(26-30)34(41)36-15-23-38-18-8-2-9-19-38/h4-5,12-13,24-26H,1-3,6-11,14-23,27H2,(H,35,40)(H,36,41)
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| InChIKey |
AWJXKGGVDBBBDF-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