General Information of the Compound
| Compound ID |
CP0204540
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| Compound Name |
US10434101, Compound I-10
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| Structure |
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| Formula |
C27H27F3N6O4
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| Molecular Weight |
556.545
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C27H27F3N6O4/c1-4-24(38)32-18-6-5-7-20(14-18)40-25-21(27(28,29)30)16-31-26(34-25)33-22-9-8-19(15-23(22)39-3)36-12-10-35(11-13-36)17(2)37/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,38)(H,31,33,34)
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| InChIKey |
BKGAQRNSVMXWHB-UHFFFAOYSA-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