General Information of the Compound
| Compound ID |
CP0464268
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| Compound Name |
3-amino-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide
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| Structure |
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| Formula |
C25H28N4O
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| Molecular Weight |
400.526
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| Canonical SMILES |
Nc1cccc(c1)C(=O)NCc1cccc(c1)-c1cccc(CN2CCNCC2)c1
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| InChI |
InChI=1S/C25H28N4O/c26-24-9-3-8-23(16-24)25(30)28-17-19-4-1-6-21(14-19)22-7-2-5-20(15-22)18-29-12-10-27-11-13-29/h1-9,14-16,27H,10-13,17-18,26H2,(H,28,30)
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| InChIKey |
GLGLZWBBACKFGR-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