General Information of the Compound
| Compound ID |
CP0655742
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| Compound Name |
4-[2-(2-chloro-phenoxy)-2-methyl-propionylamino]-adamantane-1-carboxylic acid
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| Formula |
C21H26ClNO4
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| Molecular Weight |
391.895
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| Canonical SMILES |
CC(C)(Oc1ccccc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](C(=O)O)(C3)C2
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| InChI |
InChI=1S/C21H26ClNO4/c1-20(2,27-16-6-4-3-5-15(16)22)18(24)23-17-13-7-12-8-14(17)11-21(9-12,10-13)19(25)26/h3-6,12-14,17H,7-11H2,1-2H3,(H,23,24)(H,25,26)/t12?,13?,14?,17-,21-
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| InChIKey |
UIIZCFCYQSHWAX-JFCQCOQKSA-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