General Information of the Compound
| Compound ID |
CP0375081
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| Compound Name |
5-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}pentyl-4-(3'-chlorophenyl)piperazine
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| Structure |
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| Formula |
C30H37ClN2O2
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| Molecular Weight |
493.091
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| Canonical SMILES |
COc1cccc(CCc2ccccc2OCCCCCN2CCN(CC2)c2cccc(Cl)c2)c1
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| InChI |
InChI=1S/C30H37ClN2O2/c1-34-29-13-7-9-25(23-29)15-16-26-10-3-4-14-30(26)35-22-6-2-5-17-32-18-20-33(21-19-32)28-12-8-11-27(31)24-28/h3-4,7-14,23-24H,2,5-6,15-22H2,1H3
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| InChIKey |
RRFOHVSSMLSIPZ-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