General Information of the Compound
| Compound ID |
CP0516385
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| Compound Name |
US9303045, 85
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| Structure |
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| Formula |
C20H24N2O3
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| Molecular Weight |
340.423
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| Canonical SMILES |
CN1C2CCC1CC(C2)OC(=O)c1c2OCCCn2c2ccccc12
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| InChI |
InChI=1S/C20H24N2O3/c1-21-13-7-8-14(21)12-15(11-13)25-20(23)18-16-5-2-3-6-17(16)22-9-4-10-24-19(18)22/h2-3,5-6,13-15H,4,7-12H2,1H3
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| InChIKey |
JZRUZJSRDROFAO-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