General Information of the Compound
| Compound ID |
CP0086790
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| Compound Name |
2-(2,4-dichlorophenyl)-1-(6-(methylsulfonyl)spiro[chroman-2,4'-piperidine]-1'-yl)ethanone
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| Structure |
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| Formula |
C22H23Cl2NO4S
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| Molecular Weight |
468.402
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| Canonical SMILES |
CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)Cc3ccc(Cl)cc3Cl)CCc2c1
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| InChI |
InChI=1S/C22H23Cl2NO4S/c1-30(27,28)18-4-5-20-16(12-18)6-7-22(29-20)8-10-25(11-9-22)21(26)13-15-2-3-17(23)14-19(15)24/h2-5,12,14H,6-11,13H2,1H3
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| InChIKey |
RTSHWIRSEUIDML-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