General Information of the Compound
| Compound ID |
CP0542222
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| Compound Name |
US9206173, 2454
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| Structure |
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| Formula |
C22H20ClF3N4O4
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| Molecular Weight |
496.873
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| Canonical SMILES |
COn1c(NC(C)c2ccc(cc2)C(F)(F)F)nc2CCN(Cc2c1=O)C(=O)c1ccc(Cl)o1
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| InChI |
InChI=1S/C22H20ClF3N4O4/c1-12(13-3-5-14(6-4-13)22(24,25)26)27-21-28-16-9-10-29(11-15(16)19(31)30(21)33-2)20(32)17-7-8-18(23)34-17/h3-8,12H,9-11H2,1-2H3,(H,27,28)
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| InChIKey |
HUYKTNHENPDMFA-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