General Information of the Compound
| Compound ID |
CP0766282
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| Compound Name |
4-[2-(4-chloro-phenoxy)-2-methyl-propionylamino]-adamantane-1-carboxylic acid 4-methanesulfonylaminocarbonyl-benzylamide
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| Formula |
C30H36ClN3O6S
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| Molecular Weight |
602.153
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| Canonical SMILES |
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CC3CC1C[C@](C(=O)NCc1ccc(C(=O)NS(C)(=O)=O)cc1)(C3)C2
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| InChI |
InChI=1S/C30H36ClN3O6S/c1-29(2,40-24-10-8-23(31)9-11-24)27(36)33-25-21-12-19-13-22(25)16-30(14-19,15-21)28(37)32-17-18-4-6-20(7-5-18)26(35)34-41(3,38)39/h4-11,19,21-22,25H,12-17H2,1-3H3,(H,32,37)(H,33,36)(H,34,35)/t19?,21?,22?,25-,30-
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| InChIKey |
FWQHBEAXEAYWHI-OMBHASPYSA-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