General Information of the Compound
| Compound ID |
CP0125134
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| Compound Name |
4-[4-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-5-methyl-1-(2-methylindazol-5-yl)imidazol-2-yl]-2-fluorobenzonitrile
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| Structure |
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| Formula |
C26H26FN7O
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| Molecular Weight |
471.54
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| Canonical SMILES |
CN(C)[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1ccc2nn(C)cc2c1
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| InChI |
InChI=1S/C26H26FN7O/c1-16-24(26(35)33-10-9-21(15-33)31(2)3)29-25(17-5-6-18(13-28)22(27)12-17)34(16)20-7-8-23-19(11-20)14-32(4)30-23/h5-8,11-12,14,21H,9-10,15H2,1-4H3/t21-/m0/s1
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| InChIKey |
JGLUMEJYVBYXSD-NRFANRHFSA-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