General Information of the Compound
| Compound ID |
CP0471364
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| Compound Name |
methyl 4-(4-methylpiperazin-1-yl)-2-(2-phenylethylamino)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)c1ccc(cc1NCCc1ccccc1)N1CCN(C)CC1
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| InChI |
InChI=1S/C21H27N3O2/c1-23-12-14-24(15-13-23)18-8-9-19(21(25)26-2)20(16-18)22-11-10-17-6-4-3-5-7-17/h3-9,16,22H,10-15H2,1-2H3
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| InChIKey |
JXFNOYWXKCDHGQ-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