General Information of the Compound
| Compound ID |
CP0534697
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| Compound Name |
(1R,2R)-N-[3-(difluoromethoxy)-1-methylpyrazol-4-yl]-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide
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| Structure |
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| Formula |
C22H23F2N5O3
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| Molecular Weight |
443.454
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| Canonical SMILES |
Cn1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)c2ccc(cc2)-c2cc[nH]n2)c(OC(F)F)n1
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| InChI |
InChI=1S/C22H23F2N5O3/c1-29-12-18(21(28-29)32-22(23)24)26-20(31)16-5-3-2-4-15(16)19(30)14-8-6-13(7-9-14)17-10-11-25-27-17/h6-12,15-16,22H,2-5H2,1H3,(H,25,27)(H,26,31)/t15-,16-/m1/s1
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| InChIKey |
NZHRAHHWSLNTHE-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