General Information of the Compound
| Compound ID |
CP0504469
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| Compound Name |
4-[[3-naphthalen-2-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
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| Structure |
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| Formula |
C30H28F3NO
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| Molecular Weight |
475.554
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| Canonical SMILES |
FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)-c1ccc2ccccc2c1
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| InChI |
InChI=1S/C30H28F3NO/c31-30(32,33)28-17-22(16-26(19-28)25-11-10-23-6-4-5-7-24(23)18-25)20-35-21-29(12-14-34-15-13-29)27-8-2-1-3-9-27/h1-11,16-19,34H,12-15,20-21H2
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| InChIKey |
HHTIYKWLSACTBN-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