General Information of the Compound
| Compound ID |
CP0512365
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| Compound Name |
US9340500, I-001
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| Structure |
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| Formula |
C24H34N2O3
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| Molecular Weight |
398.547
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| Canonical SMILES |
Cc1c(cc(n1CCCN1CCOCC1)C(C)(C)C)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C24H34N2O3/c1-19-21(23(27)29-18-20-9-6-5-7-10-20)17-22(24(2,3)4)26(19)12-8-11-25-13-15-28-16-14-25/h5-7,9-10,17H,8,11-16,18H2,1-4H3
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| InChIKey |
PEVIUJNBMSMJQK-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