General Information of the Compound
| Compound ID |
CP0540115
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| Compound Name |
2-[3-[4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
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| Structure |
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| Formula |
C21H19F3N8
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| Molecular Weight |
440.433
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| Canonical SMILES |
Cn1cc(cn1)-c1cc(-c2cnn(c2)C2(CC#N)CN(CC(F)(F)F)C2)n2ccnc2c1
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| InChI |
InChI=1S/C21H19F3N8/c1-29-10-16(8-27-29)15-6-18(31-5-4-26-19(31)7-15)17-9-28-32(11-17)20(2-3-25)12-30(13-20)14-21(22,23)24/h4-11H,2,12-14H2,1H3
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| InChIKey |
CKAYRDAFVZIXKY-UHFFFAOYSA-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