General Information of the Compound
| Compound ID |
CP0314915
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| Compound Name |
4-[(2-fluorophenyl)methyl]-1-[2-(3-methylpyrazol-1-yl)ethyl]piperidine
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| Structure |
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| Formula |
C18H24FN3
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| Molecular Weight |
301.409
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| Canonical SMILES |
Cc1ccn(CCN2CCC(Cc3ccccc3F)CC2)n1
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| InChI |
InChI=1S/C18H24FN3/c1-15-6-11-22(20-15)13-12-21-9-7-16(8-10-21)14-17-4-2-3-5-18(17)19/h2-6,11,16H,7-10,12-14H2,1H3
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| InChIKey |
RNRLYKOJLSLHGX-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