General Information of the Compound
| Compound ID |
CP0469818
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| Compound Name |
US9469631, 125
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| Structure |
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| Formula |
C23H29N3O4
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| Molecular Weight |
411.502
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| Canonical SMILES |
CC(C)COC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1
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| InChI |
InChI=1S/C23H29N3O4/c1-16(2)14-29-23(28)25-11-9-20(10-12-25)26(19-7-8-19)22(27)18-5-3-17(4-6-18)21-13-24-15-30-21/h3-6,13,15-16,19-20H,7-12,14H2,1-2H3
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| InChIKey |
COHYMGKEFDGAST-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