General Information of the Compound
| Compound ID |
CP0645487
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| Compound Name |
4-[2-(4-chloro-phenoxy)-2-methyl-propionylamino]-adamantane-1-carboxylic acid (pyridin-4-ylmethyl)-amide
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| Formula |
C27H32ClN3O3
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| Molecular Weight |
482.024
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| Canonical SMILES |
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CC3CC1C[C@](C(=O)NCc1ccncc1)(C3)C2
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| InChI |
InChI=1S/C27H32ClN3O3/c1-26(2,34-22-5-3-21(28)4-6-22)24(32)31-23-19-11-18-12-20(23)15-27(13-18,14-19)25(33)30-16-17-7-9-29-10-8-17/h3-10,18-20,23H,11-16H2,1-2H3,(H,30,33)(H,31,32)/t18?,19?,20?,23-,27-
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| InChIKey |
ACTSGYPIYRZKBB-FABQGSKSSA-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