General Information of the Compound
| Compound ID |
CP0386704
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| Compound Name |
1'-[2-[(2-chlorophenyl)methyl]-3-methoxypropyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
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| Structure |
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| Formula |
C22H28ClNO2S
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| Molecular Weight |
405.991
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| Canonical SMILES |
COCC(CN1CCC2(CC1)OCCc1ccsc21)Cc1ccccc1Cl
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| InChI |
InChI=1S/C22H28ClNO2S/c1-25-16-17(14-19-4-2-3-5-20(19)23)15-24-10-8-22(9-11-24)21-18(6-12-26-22)7-13-27-21/h2-5,7,13,17H,6,8-12,14-16H2,1H3
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| InChIKey |
BBYKXKUKIDZJQS-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