General Information of the Compound
| Compound ID |
CP0366457
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| Compound Name |
US8680275, 129
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| Structure |
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| Formula |
C21H18F4N6O
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| Molecular Weight |
446.408
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| Canonical SMILES |
Fc1ccc(c(c1)C(=O)N1CC[C@H]2CN([C@H]2C1)c1cccc(n1)C(F)(F)F)-n1nccn1
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| InChI |
InChI=1S/C21H18F4N6O/c22-14-4-5-16(31-26-7-8-27-31)15(10-14)20(32)29-9-6-13-11-30(17(13)12-29)19-3-1-2-18(28-19)21(23,24)25/h1-5,7-8,10,13,17H,6,9,11-12H2/t13-,17-/m0/s1
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| InChIKey |
BUQBQTFWQAKRGN-GUYCJALGSA-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