General Information of the Compound
| Compound ID |
CP0515002
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| Compound Name |
US9365511, 26
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| Structure |
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| Formula |
C28H38N2O3
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| Molecular Weight |
450.623
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| Canonical SMILES |
C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(CCC(=O)NCC(=O)OC(C)(C)C)cc1
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| InChI |
InChI=1S/C28H38N2O3/c1-21-6-5-18-30(21)19-17-23-9-14-25(15-10-23)24-12-7-22(8-13-24)11-16-26(31)29-20-27(32)33-28(2,3)4/h7-10,12-15,21H,5-6,11,16-20H2,1-4H3,(H,29,31)/t21-/m1/s1
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| InChIKey |
NTVAMIDNRXYMHB-OAQYLSRUSA-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