General Information of the Compound
| Compound ID |
CP0468006
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| Compound Name |
4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)prop-2-ynyl]piperidin-4-ol
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| Structure |
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| Formula |
C20H19ClFNO
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| Molecular Weight |
343.829
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| Canonical SMILES |
OC1(CCN(CC#Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H19ClFNO/c21-18-7-5-17(6-8-18)20(24)11-14-23(15-12-20)13-1-2-16-3-9-19(22)10-4-16/h3-10,24H,11-15H2
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| InChIKey |
NVOLYBMYFVKTGP-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