General Information of the Compound
| Compound ID |
CP0534508
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| Compound Name |
(1R,2R)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexane-1-carboxamide
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| Structure |
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| Formula |
C23H25F2N5O2
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| Molecular Weight |
441.482
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| Canonical SMILES |
Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cn(C)nc1C(F)F
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| InChI |
InChI=1S/C23H25F2N5O2/c1-13-11-18(28-27-13)14-7-9-15(10-8-14)21(31)16-5-3-4-6-17(16)23(32)26-19-12-30(2)29-20(19)22(24)25/h7-12,16-17,22H,3-6H2,1-2H3,(H,26,32)(H,27,28)/t16-,17-/m1/s1
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| InChIKey |
YLKRWCZKELVYTC-IAGOWNOFSA-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