General Information of the Compound
| Compound ID |
CP0557301
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| Compound Name |
US9062048, 55
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| Formula |
C25H27F3N6O2
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| Molecular Weight |
500.525
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| Canonical SMILES |
FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)n3ccccc3=O)c2c1
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| InChI |
InChI=1S/C25H27F3N6O2/c26-25(27,28)16-4-9-21-20(11-16)24(31-15-30-21)29-12-22(35)32-17-13-33(14-17)18-5-7-19(8-6-18)34-10-2-1-3-23(34)36/h1-4,9-11,15,17-19H,5-8,12-14H2,(H,32,35)(H,29,30,31)/t18-,19+
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| InChIKey |
RPKMHVGCGFYHEK-KDURUIRLSA-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