General Information of the Compound
| Compound ID |
CP0155012
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| Compound Name |
2-fluoro-4-[1-(6-fluoro-2-methylindazol-5-yl)-5-methyl-4-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]imidazol-2-yl]benzonitrile
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| Structure |
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| Formula |
C25H23F2N7O
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| Molecular Weight |
475.503
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| Canonical SMILES |
CN[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1cc2cn(C)nc2cc1F
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| InChI |
InChI=1S/C25H23F2N7O/c1-14-23(25(35)33-7-6-18(13-33)29-2)30-24(15-4-5-16(11-28)19(26)8-15)34(14)22-9-17-12-32(3)31-21(17)10-20(22)27/h4-5,8-10,12,18,29H,6-7,13H2,1-3H3/t18-/m0/s1
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| InChIKey |
QMDAIIMJWJRYTE-SFHVURJKSA-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