General Information of the Compound
| Compound ID |
CP0552303
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| Compound Name |
US9428456, 2.005
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| Structure |
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| Formula |
C23H28ClN3O3
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| Molecular Weight |
429.948
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| Canonical SMILES |
COCCNC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1
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| InChI |
InChI=1S/C23H28ClN3O3/c1-30-14-11-25-22(28)19-9-12-27(13-10-19)16-17-3-2-4-21(15-17)26-23(29)18-5-7-20(24)8-6-18/h2-8,15,19H,9-14,16H2,1H3,(H,25,28)(H,26,29)
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| InChIKey |
OIUNQSREKLLNDG-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