General Information of the Compound
| Compound ID |
CP0550074
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| Compound Name |
US8969325, 89
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| Structure |
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| Formula |
C22H22BrN3O3
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| Molecular Weight |
456.34
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| Canonical SMILES |
Cn1c2cccc(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(Br)ccc34)c2ccc1=O
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| InChI |
InChI=1S/C22H22BrN3O3/c1-22(2)12-17(15-8-7-13(23)11-19(15)29-22)25-21(28)24-16-5-4-6-18-14(16)9-10-20(27)26(18)3/h4-11,17H,12H2,1-3H3,(H2,24,25,28)/t17-/m1/s1
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| InChIKey |
XMZDSVZDXMQLMJ-QGZVFWFLSA-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