General Information of the Compound
| Compound ID |
CP0203747
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| Compound Name |
2-(4-chloro-phenoxy)-2-methyl-N-[(1R,2S,5S,7S)-5-(5-oxo-4,5-dihydro-[1,2,4]oxadiazol-3-yl)-adamantan-2-yl]-propionamide
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| Formula |
C22H26ClN3O4
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| Molecular Weight |
431.92
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| Canonical SMILES |
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nc(=O)o[nH]1
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| InChI |
InChI=1S/C22H26ClN3O4/c1-21(2,29-16-5-3-15(23)4-6-16)19(27)24-17-13-7-12-8-14(17)11-22(9-12,10-13)18-25-20(28)30-26-18/h3-6,12-14,17H,7-11H2,1-2H3,(H,24,27)(H,25,26,28)/t12-,13-,14?,17+,22+/m0/s1
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| InChIKey |
BQNOGCJLFJZJQU-FWQQIOJYSA-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