General Information of the Compound
| Compound ID |
CP0556853
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| Compound Name |
US8680275, 164
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| Structure |
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| Formula |
C19H20BrFN4O
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| Molecular Weight |
419.298
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| Canonical SMILES |
Cc1cc(C)nc(n1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1cc(F)ccc1Br
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| InChI |
InChI=1S/C19H20BrFN4O/c1-11-7-12(2)23-19(22-11)25-9-13-5-6-24(10-17(13)25)18(26)15-8-14(21)3-4-16(15)20/h3-4,7-8,13,17H,5-6,9-10H2,1-2H3/t13-,17-/m0/s1
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| InChIKey |
DICRKFALAXMPIZ-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