General Information of the Compound
| Compound ID |
CP0961926
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| Compound Name |
US9187424, 276
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| Structure |
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| Formula |
C29H24F7N5O2
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| Molecular Weight |
607.53
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| Canonical SMILES |
O=C1NC(c2ccc(OCCCCCC(F)(F)F)cc2F)(C(F)(F)F)CC(c2ccc3ccccc3c2)=C1c1nn[nH]n1
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| InChI |
InChI=1S/C29H24F7N5O2/c30-23-15-20(43-13-5-1-4-12-28(31,32)33)10-11-22(23)27(29(34,35)36)16-21(24(26(42)37-27)25-38-40-41-39-25)19-9-8-17-6-2-3-7-18(17)14-19/h2-3,6-11,14-15H,1,4-5,12-13,16H2,(H,37,42)(H,38,39,40,41)
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| InChIKey |
LIJZWGPDUAKNDE-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