General Information of the Compound
| Compound ID |
CP0645485
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| Compound Name |
2-(4-chloro-phenoxy)-N-(5-hydroxymethyl-adamantan-2-yl)-2-methyl-propionamide
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| Formula |
C21H28ClNO3
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| Molecular Weight |
377.912
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| Canonical SMILES |
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CC3CC1C[C@](CO)(C3)C2
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| InChI |
InChI=1S/C21H28ClNO3/c1-20(2,26-17-5-3-16(22)4-6-17)19(25)23-18-14-7-13-8-15(18)11-21(9-13,10-14)12-24/h3-6,13-15,18,24H,7-12H2,1-2H3,(H,23,25)/t13?,14?,15?,18-,21-
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| InChIKey |
SPQSNGFEASBQGI-YLGPJNIESA-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