General Information of the Compound
| Compound ID |
CP0477920
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| Compound Name |
5-[2-[(dimethylamino)methyl]phenyl]-1-N,3-N-bis(2-piperidin-1-ylethyl)benzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C31H45N5O2
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| Molecular Weight |
519.734
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| Canonical SMILES |
CN(C)Cc1ccccc1-c1cc(cc(c1)C(=O)NCCN1CCCCC1)C(=O)NCCN1CCCCC1
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| InChI |
InChI=1S/C31H45N5O2/c1-34(2)24-25-11-5-6-12-29(25)26-21-27(30(37)32-13-19-35-15-7-3-8-16-35)23-28(22-26)31(38)33-14-20-36-17-9-4-10-18-36/h5-6,11-12,21-23H,3-4,7-10,13-20,24H2,1-2H3,(H,32,37)(H,33,38)
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| InChIKey |
YSKOGCAZGBZVKS-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