General Information of the Compound
| Compound ID |
CP0098523
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| Compound Name |
US8680275, 92
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| Structure |
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| Formula |
C23H20F4N6O
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| Molecular Weight |
472.446
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| Canonical SMILES |
Cc1cc(nc(n1)C(F)(F)F)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1c(F)cccc1-c1ncccn1
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| InChI |
InChI=1S/C23H20F4N6O/c1-13-10-18(31-22(30-13)23(25,26)27)33-11-14-6-9-32(12-17(14)33)21(34)19-15(4-2-5-16(19)24)20-28-7-3-8-29-20/h2-5,7-8,10,14,17H,6,9,11-12H2,1H3/t14-,17-/m0/s1
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| InChIKey |
YIGGCJGLRRXREG-YOEHRIQHSA-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