General Information of the Compound
| Compound ID |
CP0902271
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| Compound Name |
US9187424, 8
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| Structure |
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| Formula |
C27H26F6N6O3
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| Molecular Weight |
596.532
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| Canonical SMILES |
Cc1ccc(C2=C(C(=O)Nc3nn[nH]n3)C(=O)N[C@@](c3ccc(OCCCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1
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| InChI |
InChI=1S/C27H26F6N6O3/c1-16-5-7-17(8-6-16)20-15-25(27(31,32)33,35-23(41)21(20)22(40)34-24-36-38-39-37-24)18-9-11-19(12-10-18)42-14-4-2-3-13-26(28,29)30/h5-12H,2-4,13-15H2,1H3,(H,35,41)(H2,34,36,37,38,39,40)/t25-/m0/s1
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| InChIKey |
ZQJANERQULNTHR-VWLOTQADSA-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