General Information of the Compound
| Compound ID |
CP0363333
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| Compound Name |
US8680275, 154
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| Structure |
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| Formula |
C20H22BrFN4O2
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| Molecular Weight |
449.324
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| Canonical SMILES |
COc1ccc(Br)c(C(=O)N2CC[C@H]3CN([C@H]3C2)c2nc(C)cc(C)n2)c1F
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| InChI |
InChI=1S/C20H22BrFN4O2/c1-11-8-12(2)24-20(23-11)26-9-13-6-7-25(10-15(13)26)19(27)17-14(21)4-5-16(28-3)18(17)22/h4-5,8,13,15H,6-7,9-10H2,1-3H3/t13-,15-/m0/s1
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| InChIKey |
ARDNPMFDNCMLTK-ZFWWWQNUSA-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