General Information of the Compound
| Compound ID |
CP0443053
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| Compound Name |
US9212153, 134,Ex. 99
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| Structure |
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| Formula |
C19H24BrN3O2
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| Molecular Weight |
406.324
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| Canonical SMILES |
CCN1C(N)=NC2(C1=O)c1cc(Br)ccc1CC21CCC(CC1)OC
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| InChI |
InChI=1S/C19H24BrN3O2/c1-3-23-16(24)19(22-17(23)21)15-10-13(20)5-4-12(15)11-18(19)8-6-14(25-2)7-9-18/h4-5,10,14H,3,6-9,11H2,1-2H3,(H2,21,22)
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| InChIKey |
FEKUSSYESWNGIY-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