General Information of the Compound
| Compound ID |
CP0002042
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| Compound Name |
US9777008, Compound 47
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| Structure |
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| Formula |
C23H30N2O2
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| Molecular Weight |
366.505
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| Canonical SMILES |
OC(COc1ccc(cc1)C1CCCNC1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C23H30N2O2/c26-22(16-25-13-11-18-4-1-2-5-21(18)15-25)17-27-23-9-7-19(8-10-23)20-6-3-12-24-14-20/h1-2,4-5,7-10,20,22,24,26H,3,6,11-17H2
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| InChIKey |
HUPUCRUHTCXPRQ-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