General Information of the Compound
| Compound ID |
CP0500117
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| Compound Name |
US8637501, 46
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| Structure |
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| Formula |
C26H23F3N4O2
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| Molecular Weight |
480.49
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| Canonical SMILES |
CC(=O)N1CCc2c(CC1)c1ccc(cc1n2C)-n1ccc(cc1=O)-c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C26H23F3N4O2/c1-16(34)32-10-8-21-20-5-4-19(14-23(20)31(2)22(21)9-11-32)33-12-7-17(13-25(33)35)18-3-6-24(30-15-18)26(27,28)29/h3-7,12-15H,8-11H2,1-2H3
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| InChIKey |
NRNZUIBAARRTFA-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