General Information of the Compound
| Compound ID |
CP0137054
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| Compound Name |
4-[1-(3-chloro-2-methylindazol-5-yl)-5-methyl-4-[(3R)-3-(methylamino)piperidine-1-carbonyl]imidazol-2-yl]-2-fluorobenzonitrile
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| Structure |
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| Formula |
C26H25ClFN7O
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| Molecular Weight |
505.985
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| Canonical SMILES |
CN[C@@H]1CCCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1ccc2nn(C)c(Cl)c2c1
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| InChI |
InChI=1S/C26H25ClFN7O/c1-15-23(26(36)34-10-4-5-18(14-34)30-2)31-25(16-6-7-17(13-29)21(28)11-16)35(15)19-8-9-22-20(12-19)24(27)33(3)32-22/h6-9,11-12,18,30H,4-5,10,14H2,1-3H3/t18-/m1/s1
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| InChIKey |
JAKGNRQBWOOXQA-GOSISDBHSA-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