General Information of the Compound
| Compound ID |
CP0063998
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| Compound Name |
US10233190, Example 1425
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| Synonyms |
Acyl piperidine derivative 1
PMID29473428-Compound-31
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| Structure |
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| Formula |
C24H31N3O2
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| Molecular Weight |
393.531
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| Canonical SMILES |
OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)C1CCCCC1
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| InChI |
InChI=1S/C24H31N3O2/c28-23(14-21-19-8-4-5-9-20(19)22-15-25-16-27(21)22)17-10-12-26(13-11-17)24(29)18-6-2-1-3-7-18/h4-5,8-9,15-18,21,23,28H,1-3,6-7,10-14H2
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| InChIKey |
FDUHADIZUWTWAZ-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
Clinical Information about the Compound