General Information of the Compound
| Compound ID |
CP0414284
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| Compound Name |
US9206173, 2386
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| Structure |
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| Formula |
C25H22F3N5O3
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| Molecular Weight |
497.477
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| Canonical SMILES |
COn1c(NC(C)c2ccc(cc2)C(F)(F)F)nc2CCN(Cc2c1=O)C(=O)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C25H22F3N5O3/c1-15(17-7-9-19(10-8-17)25(26,27)28)30-24-31-21-11-12-32(14-20(21)23(35)33(24)36-2)22(34)18-5-3-16(13-29)4-6-18/h3-10,15H,11-12,14H2,1-2H3,(H,30,31)
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| InChIKey |
TTYPSQMIKGPQGE-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