General Information of the Compound
| Compound ID |
CP0418307
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| Compound Name |
US8796328, B
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| Structure |
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| Formula |
C24H21F3N4
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| Molecular Weight |
422.454
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| Canonical SMILES |
CC(C)(C)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)cc1
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| InChI |
InChI=1S/C24H21F3N4/c1-23(2,3)16-7-9-17(10-8-16)31-22-18-11-6-15(13-20(18)29-14-30-22)21-19(24(25,26)27)5-4-12-28-21/h4-14H,1-3H3,(H,29,30,31)
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| InChIKey |
RXRYUCSWVNXEHU-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