General Information of the Compound
| Compound ID |
CP0006831
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| Compound Name |
US9745291, Compound 88
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| Structure |
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| Formula |
C24H33N3O4
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| Molecular Weight |
427.545
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| Canonical SMILES |
CN(C)CCOc1ccccc1OCC(=O)NC[C@H](O)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C24H33N3O4/c1-26(2)13-14-30-22-9-5-6-10-23(22)31-18-24(29)25-15-21(28)17-27-12-11-19-7-3-4-8-20(19)16-27/h3-10,21,28H,11-18H2,1-2H3,(H,25,29)/t21-/m0/s1
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| InChIKey |
HBQRDBQJOLFTNW-NRFANRHFSA-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