General Information of the Compound
| Compound ID |
CP0218707
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| Compound Name |
1-(3-Methoxy-phenyl)-5-[4-(2-methoxy-phenyl)-piperazin-1-yl]-pentan-1-one
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| Structure |
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| Formula |
C23H30N2O3
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| Molecular Weight |
382.504
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| Canonical SMILES |
COc1cccc(c1)C(=O)CCCCN1CCN(CC1)c1ccccc1OC
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| InChI |
InChI=1S/C23H30N2O3/c1-27-20-9-7-8-19(18-20)22(26)11-5-6-13-24-14-16-25(17-15-24)21-10-3-4-12-23(21)28-2/h3-4,7-10,12,18H,5-6,11,13-17H2,1-2H3
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| InChIKey |
ZWHFVXLGTWFJQQ-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