General Information of the Compound
| Compound ID |
CP0500455
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| Compound Name |
US10336717, Compound 101
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| Structure |
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| Formula |
C21H28F3N3O3
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| Molecular Weight |
427.467
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| Canonical SMILES |
COC1CCC2(Cc3ccc(OCC(F)(F)F)cc3C22ON(C(C)C)C(N)=N2)CC1
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| InChI |
InChI=1S/C21H28F3N3O3/c1-13(2)27-18(25)26-21(30-27)17-10-16(29-12-20(22,23)24)5-4-14(17)11-19(21)8-6-15(28-3)7-9-19/h4-5,10,13,15H,6-9,11-12H2,1-3H3,(H2,25,26)
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| InChIKey |
TUQZNPZIJIOMOC-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