General Information of the Compound
| Compound ID |
CP0554140
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| Compound Name |
US9062048, 39
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| Formula |
C25H31F3N6O2
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| Molecular Weight |
504.557
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| Canonical SMILES |
CN1C(CCC1=O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C25H31F3N6O2/c1-33-21(8-9-23(33)36)15-2-5-18(6-3-15)34-12-17(13-34)32-22(35)11-29-24-19-10-16(25(26,27)28)4-7-20(19)30-14-31-24/h4,7,10,14-15,17-18,21H,2-3,5-6,8-9,11-13H2,1H3,(H,32,35)(H,29,30,31)/t15-,18+,21?
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| InChIKey |
ZSHYCOIOBDLTRO-HMVYKDSGSA-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