General Information of the Compound
| Compound ID |
CP0450574
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| Compound Name |
US9187424, 273
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| Structure |
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| Formula |
C30H28F6N4O4
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| Molecular Weight |
622.566
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| Canonical SMILES |
COc1cnc(NC(=O)C2=C(CC(NC2=O)(c2ccc(OCCCCC(F)(F)F)cc2)C(F)(F)F)c2ccc(C)cc2)cn1
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| InChI |
InChI=1S/C30H28F6N4O4/c1-18-5-7-19(8-6-18)22-15-28(30(34,35)36,20-9-11-21(12-10-20)44-14-4-3-13-29(31,32)33)40-27(42)25(22)26(41)39-23-16-38-24(43-2)17-37-23/h5-12,16-17H,3-4,13-15H2,1-2H3,(H,40,42)(H,37,39,41)
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| InChIKey |
OAWVHUBLZQZSAI-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