General Information of the Compound
| Compound ID |
CP0959472
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| Compound Name |
1-methyl-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 |
C23H26N6O3
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| Molecular Weight |
434.5
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| Canonical SMILES |
Cc1cc(-c2ccc(C(=O)[C@@H]3CCCC[C@H]3C(=O)Nc3cnn(C)c3C(N)=O)cc2)[nH]n1
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| InChI |
InChI=1S/C23H26N6O3/c1-13-11-18(28-27-13)14-7-9-15(10-8-14)21(30)16-5-3-4-6-17(16)23(32)26-19-12-25-29(2)20(19)22(24)31/h7-12,16-17H,3-6H2,1-2H3,(H2,24,31)(H,26,32)(H,27,28)/t16-,17-/m1/s1
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| InChIKey |
QOHSQTYLLPTMPP-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