General Information of the Compound
| Compound ID |
CP0081499
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| Compound Name |
(3S)-1-(3-(4-chlorophenylamino)-3-oxopropyl)-3-methylpiperidinium
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| Structure |
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| Formula |
C15H21ClN2O
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| Molecular Weight |
280.799
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| Canonical SMILES |
C[C@H]1CCCN(CCC(=O)Nc2ccc(Cl)cc2)C1
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| InChI |
InChI=1S/C15H21ClN2O/c1-12-3-2-9-18(11-12)10-8-15(19)17-14-6-4-13(16)5-7-14/h4-7,12H,2-3,8-11H2,1H3,(H,17,19)/t12-/m0/s1
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| InChIKey |
KJTYOUONZZMJBQ-LBPRGKRZSA-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