General Information of the Compound
| Compound ID |
CP0565699
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| Compound Name |
US8629282, 39
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| Structure |
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| Formula |
C29H27F3N4O6
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| Molecular Weight |
584.551
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| Canonical SMILES |
O[C@@H]1[C@@H](COc2cc(ccc12)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1)NCC1(CCCCC1)C(O)=O
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| InChI |
InChI=1S/C29H27F3N4O6/c30-29(31,32)21-22(16-7-3-1-4-8-16)35-41-24(21)26-34-25(36-42-26)17-9-10-18-20(13-17)40-14-19(23(18)37)33-15-28(27(38)39)11-5-2-6-12-28/h1,3-4,7-10,13,19,23,33,37H,2,5-6,11-12,14-15H2,(H,38,39)/t19-,23+/m1/s1
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| InChIKey |
DKKDFIYQYUPPSN-XXBNENTESA-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