General Information of the Compound
| Compound ID |
CP0555586
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| Compound Name |
US9062048, 25
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| Formula |
C25H30F6N4O2
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| Molecular Weight |
532.529
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| Canonical SMILES |
CCC(O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1cc(nc2ccc(cc12)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C25H30F6N4O2/c1-2-21(36)14-3-6-17(7-4-14)35-12-16(13-35)33-23(37)11-32-20-10-22(25(29,30)31)34-19-8-5-15(9-18(19)20)24(26,27)28/h5,8-10,14,16-17,21,36H,2-4,6-7,11-13H2,1H3,(H,32,34)(H,33,37)/t14-,17+,21?
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| InChIKey |
VMTATKAQQMKZGY-ROTXOPPQSA-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