General Information of the Compound
| Compound ID |
CP0069210
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| Compound Name |
US8569511, 1
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| Structure |
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| Formula |
C22H20F2N6O2
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| Molecular Weight |
438.438
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| Canonical SMILES |
FC1(F)CC1C(=O)Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCOCC3)c2c1
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| InChI |
InChI=1S/C22H20F2N6O2/c23-22(24)11-15(22)21(31)25-12-1-3-16-14(9-12)19(29-28-16)20-26-17-4-2-13(10-18(17)27-20)30-5-7-32-8-6-30/h1-4,9-10,15H,5-8,11H2,(H,25,31)(H,26,27)(H,28,29)
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| InChIKey |
PVMIBRDKTVSNOE-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