General Information of the Compound
| Compound ID |
CP0887439
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| Compound Name |
US9187424, 274
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| Structure |
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| Formula |
C26H22F9N5O3
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| Molecular Weight |
623.476
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| Canonical SMILES |
O=C1NC(c2ccc(OCCCCCC(F)(F)F)cc2F)(C(F)(F)F)CC(c2ccc(OC(F)F)cc2)=C1c1nn[nH]n1
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| InChI |
InChI=1S/C26H22F9N5O3/c27-19-12-16(42-11-3-1-2-10-25(30,31)32)8-9-18(19)24(26(33,34)35)13-17(14-4-6-15(7-5-14)43-23(28)29)20(22(41)36-24)21-37-39-40-38-21/h4-9,12,23H,1-3,10-11,13H2,(H,36,41)(H,37,38,39,40)
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| InChIKey |
RMYJBTQGWKGKQE-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