General Information of the Compound
| Compound ID |
CP0013935
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| Compound Name |
US9745291, Compound 98
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| Structure |
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| Formula |
C24H27N3O4
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| Molecular Weight |
421.497
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| Canonical SMILES |
COc1ccc2cccc(OCC(=O)NC[C@@H](O)CN3CCc4ccccc4C3)c2n1
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| InChI |
InChI=1S/C24H27N3O4/c1-30-23-10-9-18-7-4-8-21(24(18)26-23)31-16-22(29)25-13-20(28)15-27-12-11-17-5-2-3-6-19(17)14-27/h2-10,20,28H,11-16H2,1H3,(H,25,29)/t20-/m1/s1
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| InChIKey |
UGLJLGAPPPJZLG-HXUWFJFHSA-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