General Information of the Compound
| Compound ID |
CP0291062
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| Compound Name |
2-(4-chloro-phenoxy)-N-[(1R,2S,5S,7S)-5-(1H-imidazol-2-yl)-adamantan-2-yl]-2-methyl-propionamide
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| Formula |
C23H28ClN3O2
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| Molecular Weight |
413.949
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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)c1ncc[nH]1
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| InChI |
InChI=1S/C23H28ClN3O2/c1-22(2,29-18-5-3-17(24)4-6-18)21(28)27-19-15-9-14-10-16(19)13-23(11-14,12-15)20-25-7-8-26-20/h3-8,14-16,19H,9-13H2,1-2H3,(H,25,26)(H,27,28)/t14-,15-,16?,19+,23+/m0/s1
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| InChIKey |
XGDUOZKIZRASEM-XPFQKKRMSA-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