General Information of the Compound
| Compound ID |
CP0515052
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| Compound Name |
US9216968, 37
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| Structure |
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| Formula |
C25H21F3N4O4
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| Molecular Weight |
498.461
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| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1ccc(OC)cc1
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| InChI |
InChI=1S/C25H21F3N4O4/c1-35-13-21-31-20-12-15(30-23(33)17-5-3-4-6-19(17)25(26,27)28)11-18(22(20)32-21)24(34)29-14-7-9-16(36-2)10-8-14/h3-12H,13H2,1-2H3,(H,29,34)(H,30,33)(H,31,32)
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| InChIKey |
QBVAHNGTEHVBAI-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