General Information of the Compound
| Compound ID |
CP0156494
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| Compound Name |
4-(4-Chloro-3-trifluoromethyl-phenyl)-1-naphthalen-2-ylmethyl-1-oxy-piperidin-4-ol
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| Structure |
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| Formula |
C23H21ClF3NO2
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| Molecular Weight |
435.873
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| Canonical SMILES |
OC1(CC[N+]([O-])(Cc2ccc3ccccc3c2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C23H21ClF3NO2/c24-21-8-7-19(14-20(21)23(25,26)27)22(29)9-11-28(30,12-10-22)15-16-5-6-17-3-1-2-4-18(17)13-16/h1-8,13-14,29H,9-12,15H2
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| InChIKey |
KXQGWTNCXACIKF-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