General Information of the Compound
| Compound ID |
CP0577773
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| Compound Name |
US9062048, 135
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| Formula |
C25H30F6N6O2
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| Molecular Weight |
560.543
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| Canonical SMILES |
CCC(NC(=O)C(F)(F)F)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C25H30F6N6O2/c1-2-19(36-23(39)25(29,30)31)14-3-6-17(7-4-14)37-11-16(12-37)35-21(38)10-32-22-18-9-15(24(26,27)28)5-8-20(18)33-13-34-22/h5,8-9,13-14,16-17,19H,2-4,6-7,10-12H2,1H3,(H,35,38)(H,36,39)(H,32,33,34)/t14-,17+,19?
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| InChIKey |
MRQSVFIVYDBRRQ-RWWHEGPVSA-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