General Information of the Compound
| Compound ID |
CP0557072
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| Compound Name |
US8927539, 8
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| Structure |
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| Formula |
C23H28BrNO3
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| Molecular Weight |
446.385
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| Canonical SMILES |
CC(C)(O)CC1(CCN(C(=O)O1)C(C)(C)c1ccc(Br)cc1)c1ccccc1
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| InChI |
InChI=1S/C23H28BrNO3/c1-21(2,27)16-23(18-8-6-5-7-9-18)14-15-25(20(26)28-23)22(3,4)17-10-12-19(24)13-11-17/h5-13,27H,14-16H2,1-4H3
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| InChIKey |
KMVPGLZAXSHKHE-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