General Information of the Compound
| Compound ID |
CP0112599
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| Compound Name |
US8569511, 2
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| Structure |
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| Formula |
C23H22F2N6O2
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| Molecular Weight |
452.465
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| Canonical SMILES |
CC1CN(CCO1)c1ccc2nc([nH]c2c1)-c1n[nH]c2ccc(NC(=O)C3CC3(F)F)cc12
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| InChI |
InChI=1S/C23H22F2N6O2/c1-12-11-31(6-7-33-12)14-3-5-18-19(9-14)28-21(27-18)20-15-8-13(2-4-17(15)29-30-20)26-22(32)16-10-23(16,24)25/h2-5,8-9,12,16H,6-7,10-11H2,1H3,(H,26,32)(H,27,28)(H,29,30)
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| InChIKey |
ZBBDKEHQTOTGRO-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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Table of Molecular Bioactivities Related to the Compound
Cell Viability or Cytotoxicity Assay