General Information of the Compound
| Compound ID |
CP0469771
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| Compound Name |
US9469631, 121
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| Structure |
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| Formula |
C24H31N3O4
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| Molecular Weight |
425.529
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| Canonical SMILES |
CC(C)(C)COC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1
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| InChI |
InChI=1S/C24H31N3O4/c1-24(2,3)15-30-23(29)26-12-10-20(11-13-26)27(19-8-9-19)22(28)18-6-4-17(5-7-18)21-14-25-16-31-21/h4-7,14,16,19-20H,8-13,15H2,1-3H3
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| InChIKey |
XOIGRTYQLAGKFC-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