General Information of the Compound
| Compound ID |
CP0274641
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| Compound Name |
US9085576, 342
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| Structure |
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| Formula |
C20H15ClF3N5O
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| Molecular Weight |
433.821
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| Canonical SMILES |
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(Nc2nccc3cc(Cl)cnc23)cc(F)c1F
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| InChI |
InChI=1S/C20H15ClF3N5O/c21-10-3-9-1-2-26-18(17(9)27-7-10)28-11-4-13(16(24)14(23)5-11)20(8-22)12-6-15(12)30-19(25)29-20/h1-5,7,12,15H,6,8H2,(H2,25,29)(H,26,28)/t12-,15+,20-/m0/s1
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| InChIKey |
VZDXLWUBRGHQQW-VHPWJVAPSA-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