General Information of the Compound
| Compound ID |
CP0527207
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| Compound Name |
US8791268, 3
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| Structure |
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| Formula |
C22H26BrF3N4O2
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| Molecular Weight |
515.374
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| Canonical SMILES |
COc1cc(CC(=O)NCc2ccc(nc2N2CCC(C)CC2)C(F)(F)F)cc(Br)c1N
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| InChI |
InChI=1S/C22H26BrF3N4O2/c1-13-5-7-30(8-6-13)21-15(3-4-18(29-21)22(24,25)26)12-28-19(31)11-14-9-16(23)20(27)17(10-14)32-2/h3-4,9-10,13H,5-8,11-12,27H2,1-2H3,(H,28,31)
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| InChIKey |
HSARPVRSWGKTBT-UHFFFAOYSA-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