General Information of the Compound
| Compound ID |
CP0548082
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| Compound Name |
US9428456, 1.256
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| Structure |
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| Formula |
C22H33N3O3
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| Molecular Weight |
387.524
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| Canonical SMILES |
CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)C3CCOC3)c2)CC1
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| InChI |
InChI=1S/C22H33N3O3/c1-22(2,3)24-21(27)17-7-10-25(11-8-17)14-16-5-4-6-19(13-16)23-20(26)18-9-12-28-15-18/h4-6,13,17-18H,7-12,14-15H2,1-3H3,(H,23,26)(H,24,27)
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| InChIKey |
DXTJGXRZOUQCAQ-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