General Information of the Compound
| Compound ID |
CP0512083
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| Compound Name |
US9206173, 2484
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| Structure |
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| Formula |
C24H22F6N6O2
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| Molecular Weight |
540.468
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| Canonical SMILES |
CN(C)n1c(NN(C)c2ccc(cc2)C(F)(F)F)nc2CCN(Cc2c1=O)C(=O)c1c(F)cc(F)cc1F
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| InChI |
InChI=1S/C24H22F6N6O2/c1-33(2)36-21(37)16-12-35(22(38)20-17(26)10-14(25)11-18(20)27)9-8-19(16)31-23(36)32-34(3)15-6-4-13(5-7-15)24(28,29)30/h4-7,10-11H,8-9,12H2,1-3H3,(H,31,32)
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| InChIKey |
YBPMETBQLYLJCH-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