General Information of the Compound
| Compound ID |
CP0554777
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| Compound Name |
US9428456, 2.011
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| Structure |
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| Formula |
C26H32ClN3O3
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| Molecular Weight |
470.013
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| Canonical SMILES |
OC1CCC(CC1)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1
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| InChI |
InChI=1S/C26H32ClN3O3/c27-21-6-4-19(5-7-21)25(32)29-23-3-1-2-18(16-23)17-30-14-12-20(13-15-30)26(33)28-22-8-10-24(31)11-9-22/h1-7,16,20,22,24,31H,8-15,17H2,(H,28,33)(H,29,32)
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| InChIKey |
UVMLSKSJMTYAPX-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