General Information of the Compound
| Compound ID |
CP0473768
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| Compound Name |
(1S,2R)-2-cyano-N-(3,5-dichlorophenyl)cyclohexanecarboxamide
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| Structure |
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| Formula |
C14H14Cl2N2O
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| Molecular Weight |
297.185
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| Canonical SMILES |
Clc1cc(Cl)cc(NC(=O)[C@H]2CCCC[C@H]2C#N)c1
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| InChI |
InChI=1S/C14H14Cl2N2O/c15-10-5-11(16)7-12(6-10)18-14(19)13-4-2-1-3-9(13)8-17/h5-7,9,13H,1-4H2,(H,18,19)/t9-,13-/m0/s1
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| InChIKey |
SQRKOAHICBTYND-ZANVPECISA-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