General Information of the Compound
| Compound ID |
CP0413457
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| Compound Name |
US9212153, 49
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| Structure |
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| Formula |
C25H27FN4O2
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| Molecular Weight |
434.515
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| Canonical SMILES |
CCOC1(F)CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(c2)C#N)CC1
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| InChI |
InChI=1S/C25H27FN4O2/c1-3-31-24(26)11-9-23(10-12-24)15-20-8-7-19(18-6-4-5-17(13-18)16-27)14-21(20)25(23)29-22(28)30(2)32-25/h4-8,13-14H,3,9-12,15H2,1-2H3,(H2,28,29)
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| InChIKey |
BBCURAZRWRCUAL-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