General Information of the Compound
| Compound ID |
CP0574702
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| Compound Name |
US10336717, Compound 446
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| Structure |
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| Formula |
C19H23BrF3N3O
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| Molecular Weight |
446.311
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| Canonical SMILES |
COC1CCC2(Cc3ccc(Br)cc3C22CN(CC(F)(F)F)C(N)=N2)CC1
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| InChI |
InChI=1S/C19H23BrF3N3O/c1-27-14-4-6-17(7-5-14)9-12-2-3-13(20)8-15(12)18(17)10-26(16(24)25-18)11-19(21,22)23/h2-3,8,14H,4-7,9-11H2,1H3,(H2,24,25)
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| InChIKey |
KDRGBWLMLNYBLR-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