General Information of the Compound
| Compound ID |
CP0469824
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| Compound Name |
US9469631, 87
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| Structure |
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| Formula |
C28H36N2O4
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| Molecular Weight |
464.606
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| Canonical SMILES |
CCOc1ccc(cc1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C28H36N2O4/c1-5-33-25-14-10-21(11-15-25)20-6-8-22(9-7-20)26(31)30(23-12-13-23)24-16-18-29(19-17-24)27(32)34-28(2,3)4/h6-11,14-15,23-24H,5,12-13,16-19H2,1-4H3
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| InChIKey |
PWTIRSBTFWRPFI-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