General Information of the Compound
| Compound ID |
CP0464465
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| Compound Name |
US9062048, 46
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| Formula |
C25H33F3N6O2
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| Molecular Weight |
506.573
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| Canonical SMILES |
CCCC(=O)N(C)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C25H33F3N6O2/c1-3-4-23(36)33(2)18-6-8-19(9-7-18)34-13-17(14-34)32-22(35)12-29-24-20-11-16(25(26,27)28)5-10-21(20)30-15-31-24/h5,10-11,15,17-19H,3-4,6-9,12-14H2,1-2H3,(H,32,35)(H,29,30,31)/t18-,19+
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| InChIKey |
INGTZRBKIRUTNF-KDURUIRLSA-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