General Information of the Compound
| Compound ID |
CP0488800
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| Compound Name |
US9062048, 19
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| Formula |
C22H27F3N8O2
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| Molecular Weight |
492.506
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| Canonical SMILES |
OC(CN=[N+]=[N-])[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C22H27F3N8O2/c23-22(24,25)14-3-6-18-17(7-14)21(29-12-28-18)27-9-20(35)31-15-10-33(11-15)16-4-1-13(2-5-16)19(34)8-30-32-26/h3,6-7,12-13,15-16,19,34H,1-2,4-5,8-11H2,(H,31,35)(H,27,28,29)/t13-,16+,19?
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| InChIKey |
FBIGLTFFRHCGFZ-CNWIXYDXSA-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