General Information of the Compound
| Compound ID |
CP0476658
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| Compound Name |
(1R,2R)-N-(1,3-dimethylpyrazol-4-yl)-2-[2-fluoro-4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide
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| Structure |
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| Formula |
C22H24FN5O2
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| Molecular Weight |
409.465
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| Canonical SMILES |
Cc1nn(C)cc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(cc1F)-c1cc[nH]n1
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| InChI |
InChI=1S/C22H24FN5O2/c1-13-20(12-28(2)27-13)25-22(30)16-6-4-3-5-15(16)21(29)17-8-7-14(11-18(17)23)19-9-10-24-26-19/h7-12,15-16H,3-6H2,1-2H3,(H,24,26)(H,25,30)/t15-,16-/m1/s1
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| InChIKey |
CTRKOYLEBIFWAO-HZPDHXFCSA-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