General Information of the Compound
| Compound ID |
CP0704324
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| Compound Name |
4-[2-(4-chloro-phenoxy)-2-methyl-propionylamino]-adamantane-1-carboxylic acid 4-sulfamoyl-benzylamide
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| Formula |
C28H34ClN3O5S
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| Molecular Weight |
560.116
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| Canonical SMILES |
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CC3CC1C[C@](C(=O)NCc1ccc(S(N)(=O)=O)cc1)(C3)C2
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| InChI |
InChI=1S/C28H34ClN3O5S/c1-27(2,37-22-7-5-21(29)6-8-22)25(33)32-24-19-11-18-12-20(24)15-28(13-18,14-19)26(34)31-16-17-3-9-23(10-4-17)38(30,35)36/h3-10,18-20,24H,11-16H2,1-2H3,(H,31,34)(H,32,33)(H2,30,35,36)/t18?,19?,20?,24-,28-
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| InChIKey |
AGDRECLEKQYTNN-RWLLMLSVSA-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