General Information of the Compound
| Compound ID |
CP0486384
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| Compound Name |
US9469631, 108
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| Structure |
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| Formula |
C25H31N3O4
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| Molecular Weight |
437.54
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccc(O)nc1
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| InChI |
InChI=1S/C25H31N3O4/c1-25(2,3)32-24(31)27-14-12-21(13-15-27)28(20-9-10-20)23(30)18-6-4-17(5-7-18)19-8-11-22(29)26-16-19/h4-8,11,16,20-21H,9-10,12-15H2,1-3H3,(H,26,29)
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| InChIKey |
MWTLVYCVAPJQLC-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