General Information of the Compound
| Compound ID |
CP0960908
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| Compound Name |
1-ethyl-4-((1R,2R)-2-(4-(3-methyl-1H-pyrazol-5-yl)benzoyl)cyclohexanecarboxamido)-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C24H28N6O3
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| Molecular Weight |
448.527
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| Canonical SMILES |
CCn1ncc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)c2ccc(-c3cc(C)n[nH]3)cc2)c1C(N)=O
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| InChI |
InChI=1S/C24H28N6O3/c1-3-30-21(23(25)32)20(13-26-30)27-24(33)18-7-5-4-6-17(18)22(31)16-10-8-15(9-11-16)19-12-14(2)28-29-19/h8-13,17-18H,3-7H2,1-2H3,(H2,25,32)(H,27,33)(H,28,29)/t17-,18-/m1/s1
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| InChIKey |
LTKXCXFALXANGC-QZTJIDSGSA-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