General Information of the Compound
| Compound ID |
CP0471365
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| Compound Name |
N-benzyl-5-(4-methylpiperazin-1-yl)-2-phenylmethoxyaniline
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| Structure |
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| Formula |
C25H29N3O
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| Molecular Weight |
387.527
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(OCc2ccccc2)c(NCc2ccccc2)c1
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| InChI |
InChI=1S/C25H29N3O/c1-27-14-16-28(17-15-27)23-12-13-25(29-20-22-10-6-3-7-11-22)24(18-23)26-19-21-8-4-2-5-9-21/h2-13,18,26H,14-17,19-20H2,1H3
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| InChIKey |
KGACXFRDNFTJOU-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