General Information of the Compound
| Compound ID |
CP0239240
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| Compound Name |
US9085576, 250
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| Structure |
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| Formula |
C24H21F3N4O3
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| Molecular Weight |
470.451
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| Canonical SMILES |
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OCC#CC3CC3)cn2)ccc1F
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| InChI |
InChI=1S/C24H21F3N4O3/c25-18-7-5-14(10-16(18)24(22(26)27)17-11-20(17)34-23(28)31-24)30-21(32)19-8-6-15(12-29-19)33-9-1-2-13-3-4-13/h5-8,10,12-13,17,20,22H,3-4,9,11H2,(H2,28,31)(H,30,32)/t17-,20+,24+/m0/s1
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| InChIKey |
YJTGPECJMTWUKJ-WPSZSDGUSA-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