General Information of the Compound
| Compound ID |
CP0449954
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| Compound Name |
US9216968, 50
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| Structure |
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| Formula |
C24H25F3N4O2
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| Molecular Weight |
458.484
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| Canonical SMILES |
CCn1cnc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc12)C(=O)NC1CCCCC1
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| InChI |
InChI=1S/C24H25F3N4O2/c1-2-31-14-28-21-18(23(33)29-15-8-4-3-5-9-15)12-16(13-20(21)31)30-22(32)17-10-6-7-11-19(17)24(25,26)27/h6-7,10-15H,2-5,8-9H2,1H3,(H,29,33)(H,30,32)
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| InChIKey |
OSOWJRHQGLQPKF-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