General Information of the Compound
| Compound ID |
CP0929507
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| Compound Name |
US9187424, 248
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| Structure |
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| Formula |
C27H25F8N5O3
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| Molecular Weight |
619.513
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| Canonical SMILES |
O=C1NC(c2ccc(OCCCCCC(F)(F)F)cc2)(C(F)(F)F)CC(c2ccc(OCC(F)F)cc2)=C1c1nn[nH]n1
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| InChI |
InChI=1S/C27H25F8N5O3/c28-21(29)15-43-19-8-4-16(5-9-19)20-14-25(27(33,34)35,36-24(41)22(20)23-37-39-40-38-23)17-6-10-18(11-7-17)42-13-3-1-2-12-26(30,31)32/h4-11,21H,1-3,12-15H2,(H,36,41)(H,37,38,39,40)
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| InChIKey |
QGJUODWNNBBLLC-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