General Information of the Compound
| Compound ID |
CP0766281
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| Compound Name |
2-(2-chloro-4-fluoro-phenoxy)-2-methyl-N-[5-(1H-tetrazol-5-yl)-adamantan-2-yl]-propionamide
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| Formula |
C21H25ClFN5O2
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| Molecular Weight |
433.915
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| Canonical SMILES |
CC(C)(Oc1ccc(F)cc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](c1nnn[nH]1)(C3)C2
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| InChI |
InChI=1S/C21H25ClFN5O2/c1-20(2,30-16-4-3-14(23)7-15(16)22)19(29)24-17-12-5-11-6-13(17)10-21(8-11,9-12)18-25-27-28-26-18/h3-4,7,11-13,17H,5-6,8-10H2,1-2H3,(H,24,29)(H,25,26,27,28)/t11?,12?,13?,17-,21-
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| InChIKey |
SDLVFSDWSGBQTI-NXTHNAPESA-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