General Information of the Compound
| Compound ID |
CP0448250
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| Compound Name |
(3S)-3-methyl-1-[(3S)-3-methyl-4-naphthalen-1-ylsulfonylpentyl]piperidine
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| Structure |
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| Formula |
C22H31NO2S
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| Molecular Weight |
373.562
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| Canonical SMILES |
C[C@@H](CCN1CCC[C@H](C)C1)C(C)S(=O)(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C22H31NO2S/c1-17-8-7-14-23(16-17)15-13-18(2)19(3)26(24,25)22-12-6-10-20-9-4-5-11-21(20)22/h4-6,9-12,17-19H,7-8,13-16H2,1-3H3/t17-,18-,19?/m0/s1
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| InChIKey |
NSIUOUDAPUEWFM-ADUPEVMXSA-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