General Information of the Compound
| Compound ID |
CP0413499
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| Compound Name |
US9216968, 226
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| Structure |
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| Formula |
C23H25F3N4O3
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| Molecular Weight |
462.472
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| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)NCC(C)(C)C
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| InChI |
InChI=1S/C23H25F3N4O3/c1-22(2,3)12-27-20(31)15-9-13(10-17-19(15)30-18(29-17)11-33-4)28-21(32)14-7-5-6-8-16(14)23(24,25)26/h5-10H,11-12H2,1-4H3,(H,27,31)(H,28,32)(H,29,30)
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| InChIKey |
LONOSILRSRLYPR-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