General Information of the Compound
| Compound ID |
CP0419872
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| Compound Name |
US9187424, 52
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| Structure |
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| Formula |
C30H22F4N4O3
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| Molecular Weight |
562.523
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(C(=O)Nc2ccc(F)cc2)C(=O)NC(C1)(c1ccc(Oc2ncccn2)cc1)C(F)(F)F
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| InChI |
InChI=1S/C30H22F4N4O3/c1-18-3-5-19(6-4-18)24-17-29(30(32,33)34,20-7-13-23(14-8-20)41-28-35-15-2-16-36-28)38-27(40)25(24)26(39)37-22-11-9-21(31)10-12-22/h2-16H,17H2,1H3,(H,37,39)(H,38,40)
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| InChIKey |
YAHQORPRAGQGFS-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