General Information of the Compound
| Compound ID |
CP0559660
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| Compound Name |
N'-(5-chloro-2-adamantyl)-4-(trifluoromethyl)benzohydrazide
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| Formula |
C18H20ClF3N2O
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| Molecular Weight |
372.818
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)C(=O)NNC1C2CC3CC1CC(Cl)(C3)C2
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| InChI |
InChI=1S/C18H20ClF3N2O/c19-17-7-10-5-12(8-17)15(13(6-10)9-17)23-24-16(25)11-1-3-14(4-2-11)18(20,21)22/h1-4,10,12-13,15,23H,5-9H2,(H,24,25)
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| InChIKey |
SIULYFIPBJFTAV-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