General Information of the Compound
| Compound ID |
CP0491675
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| Compound Name |
US9187424, 167
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| Structure |
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| Formula |
C27H21F8N3O5
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| Molecular Weight |
619.465
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| Canonical SMILES |
FC(F)Oc1ccc(cc1)C1=C(NC(=O)c2ccno2)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H21F8N3O5/c28-24(29)42-18-6-2-15(3-7-18)19-14-25(27(33,34)35,38-23(40)21(19)37-22(39)20-10-12-36-43-20)16-4-8-17(9-5-16)41-13-1-11-26(30,31)32/h2-10,12,24H,1,11,13-14H2,(H,37,39)(H,38,40)
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| InChIKey |
VHZACUWGFFQUQN-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