General Information of the Compound
| Compound ID |
CP0435923
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| Compound Name |
2-[(2-chlorophenyl)methyl]-3-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpropanenitrile
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| Structure |
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| Formula |
C21H23ClN2OS
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| Molecular Weight |
386.948
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| Canonical SMILES |
Clc1ccccc1CC(CN1CCC2(CC1)OCCc1ccsc21)C#N
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| InChI |
InChI=1S/C21H23ClN2OS/c22-19-4-2-1-3-18(19)13-16(14-23)15-24-9-7-21(8-10-24)20-17(5-11-25-21)6-12-26-20/h1-4,6,12,16H,5,7-11,13,15H2
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| InChIKey |
AXICZPDGGKLLHF-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