General Information of the Compound
| Compound ID |
CP0447764
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| Compound Name |
US9056836, 22
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| Structure |
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| Formula |
C20H28N2O3
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| Molecular Weight |
344.455
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| Canonical SMILES |
COc1ccc2C[C@@H]3[C@H](CO)[C@](CC(N)=O)(CCN3CC3CC3)c2c1
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| InChI |
InChI=1S/C20H28N2O3/c1-25-15-5-4-14-8-18-17(12-23)20(10-19(21)24,16(14)9-15)6-7-22(18)11-13-2-3-13/h4-5,9,13,17-18,23H,2-3,6-8,10-12H2,1H3,(H2,21,24)/t17-,18+,20-/m0/s1
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| InChIKey |
OILWGVPRTMIIFX-NSHGMRRFSA-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