General Information of the Compound
| Compound ID |
CP0503062
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| Compound Name |
3-cyano-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide
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| Structure |
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| Formula |
C26H26N4O
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| Molecular Weight |
410.521
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| Canonical SMILES |
O=C(NCc1cccc(c1)-c1cccc(CN2CCNCC2)c1)c1cccc(c1)C#N
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| InChI |
InChI=1S/C26H26N4O/c27-17-20-4-1-9-25(14-20)26(31)29-18-21-5-2-7-23(15-21)24-8-3-6-22(16-24)19-30-12-10-28-11-13-30/h1-9,14-16,28H,10-13,18-19H2,(H,29,31)
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| InChIKey |
CILXHEFUKPSOMO-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