General Information of the Compound
| Compound ID |
CP0035627
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| Compound Name |
2-(4-chloro-phenoxy)-N-(5-dimethylsulfamoyl-adamantan-2-yl)-2-methyl-propionamide
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| Formula |
C22H31ClN2O4S
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| Molecular Weight |
455.02
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| Canonical SMILES |
CN(C)S(=O)(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(C3)C2
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| InChI |
InChI=1S/C22H31ClN2O4S/c1-21(2,29-18-7-5-17(23)6-8-18)20(26)24-19-15-9-14-10-16(19)13-22(11-14,12-15)30(27,28)25(3)4/h5-8,14-16,19H,9-13H2,1-4H3,(H,24,26)/t14?,15?,16?,19-,22-
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| InChIKey |
VJHGNFUYSRHHAB-IDNYSXLCSA-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