General Information of the Compound
| Compound ID |
CP0571218
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| Compound Name |
methyl 3-[3-(4-phenylpiperazin-1-yl)propylamino]benzoate
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| Structure |
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| Formula |
C21H27N3O2
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| Molecular Weight |
353.466
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| Canonical SMILES |
COC(=O)c1cccc(NCCCN2CCN(CC2)c2ccccc2)c1
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| InChI |
InChI=1S/C21H27N3O2/c1-26-21(25)18-7-5-8-19(17-18)22-11-6-12-23-13-15-24(16-14-23)20-9-3-2-4-10-20/h2-5,7-10,17,22H,6,11-16H2,1H3
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| InChIKey |
LNNCWDSIVUTSEK-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