General Information of the Compound
| Compound ID |
CP0471186
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| Compound Name |
US8680275, 159
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| Structure |
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| Formula |
C21H21F3N8O
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| Molecular Weight |
458.448
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| Canonical SMILES |
Cc1cc(C)nc(n1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1ccc(nc1-n1ccnn1)C(F)(F)F
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| InChI |
InChI=1S/C21H21F3N8O/c1-12-9-13(2)27-20(26-12)31-10-14-5-7-30(11-16(14)31)19(33)15-3-4-17(21(22,23)24)28-18(15)32-8-6-25-29-32/h3-4,6,8-9,14,16H,5,7,10-11H2,1-2H3/t14-,16-/m0/s1
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| InChIKey |
OUVHNDWXWOLNTO-HOCLYGCPSA-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