General Information of the Compound
| Compound ID |
CP0456122
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| Compound Name |
1-[2-[4-[2-[5-(4-chlorophenyl)pyridin-2-yl]ethynyl]phenoxy]ethyl]-4-(trifluoromethyl)piperidin-4-ol
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| Structure |
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| Formula |
C27H24ClF3N2O2
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| Molecular Weight |
500.948
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| Canonical SMILES |
OC1(CCN(CCOc2ccc(cc2)C#Cc2ccc(cn2)-c2ccc(Cl)cc2)CC1)C(F)(F)F
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| InChI |
InChI=1S/C27H24ClF3N2O2/c28-23-7-4-21(5-8-23)22-6-10-24(32-19-22)9-1-20-2-11-25(12-3-20)35-18-17-33-15-13-26(34,14-16-33)27(29,30)31/h2-8,10-12,19,34H,13-18H2
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| InChIKey |
VNXUKSFLBZQILZ-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