General Information of the Compound
| Compound ID |
CP0564782
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| Compound Name |
2,5-dimethyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-3-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 |
Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1c(C)nn(C)c1C(N)=O
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| InChI |
InChI=1S/C24H28N6O3/c1-13-12-19(28-27-13)15-8-10-16(11-9-15)22(31)17-6-4-5-7-18(17)24(33)26-20-14(2)29-30(3)21(20)23(25)32/h8-12,17-18H,4-7H2,1-3H3,(H2,25,32)(H,26,33)(H,27,28)/t17-,18-/m1/s1
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| InChIKey |
PYWLKLVMYYSPEZ-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