General Information of the Compound
| Compound ID |
CP0770610
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| Compound Name |
4-(2-methyl-2-phenoxy-propionylamino)-adamantane-1-carboxylic acid
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| Formula |
C21H27NO4
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| Molecular Weight |
357.45
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| Canonical SMILES |
CC(C)(Oc1ccccc1)C(=O)N[C@H]1C2CC3CC1C[C@](C(=O)O)(C3)C2
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| InChI |
InChI=1S/C21H27NO4/c1-20(2,26-16-6-4-3-5-7-16)18(23)22-17-14-8-13-9-15(17)12-21(10-13,11-14)19(24)25/h3-7,13-15,17H,8-12H2,1-2H3,(H,22,23)(H,24,25)/t13?,14?,15?,17-,21-
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| InChIKey |
GIFJUNAMCWBYRP-ZCHFLCOESA-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