General Information of the Compound
| Compound ID |
CP0469825
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| Compound Name |
US9469631, 91
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| Structure |
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| Formula |
C28H33N3O3
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| Molecular Weight |
459.59
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccc(CC#N)cc1
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| InChI |
InChI=1S/C28H33N3O3/c1-28(2,3)34-27(33)30-18-15-25(16-19-30)31(24-12-13-24)26(32)23-10-8-22(9-11-23)21-6-4-20(5-7-21)14-17-29/h4-11,24-25H,12-16,18-19H2,1-3H3
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| InChIKey |
JEGSAAQKGMWLGJ-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