General Information of the Compound
| Compound ID |
CP0572484
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| Compound Name |
3,5-dimethyl-N'-[4-(trifluoromethyl)benzoyl]adamantane-1-carbohydrazide
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| Formula |
C21H25F3N2O2
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| Molecular Weight |
394.437
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| Canonical SMILES |
CC12CC3CC(C)(C1)CC(C3)(C2)C(=O)NNC(=O)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C21H25F3N2O2/c1-18-7-13-8-19(2,10-18)12-20(9-13,11-18)17(28)26-25-16(27)14-3-5-15(6-4-14)21(22,23)24/h3-6,13H,7-12H2,1-2H3,(H,25,27)(H,26,28)
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| InChIKey |
FGSBDPXKSJGKSE-UHFFFAOYSA-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