General Information of the Compound
| Compound ID |
CP0544597
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| Compound Name |
1'-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
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| Structure |
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| Formula |
C21H25Cl2NOS
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| Molecular Weight |
410.41
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| Canonical SMILES |
ClCC(CN1CCC2(CC1)OCCc1ccsc21)Cc1ccccc1Cl
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| InChI |
InChI=1S/C21H25Cl2NOS/c22-14-16(13-18-3-1-2-4-19(18)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 |
LRBPXNPMLVTUDC-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