General Information of the Compound
| Compound ID |
CP0426861
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| Compound Name |
2-methyl-4-[[(1R,2R)-2-[4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]pyrazole-3-carboxylic acid
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| Structure |
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| Formula |
C23H25N5O4
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| Molecular Weight |
435.484
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| Canonical SMILES |
Cc1cc([nH]n1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(C)c1C(O)=O
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| InChI |
InChI=1S/C23H25N5O4/c1-13-11-18(27-26-13)14-7-9-15(10-8-14)21(29)16-5-3-4-6-17(16)22(30)25-19-12-24-28(2)20(19)23(31)32/h7-12,16-17H,3-6H2,1-2H3,(H,25,30)(H,26,27)(H,31,32)/t16-,17-/m1/s1
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| InChIKey |
HMUQXWFEWZDIIW-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