General Information of the Compound
| Compound ID |
CP0006559
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| Compound Name |
US9777008, Compound 94
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| Structure |
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| Formula |
C25H24N2O2
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| Molecular Weight |
384.479
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| Canonical SMILES |
OC(COc1cccc(c1)-c1ccc(cc1)C#N)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C25H24N2O2/c26-15-19-8-10-21(11-9-19)22-6-3-7-25(14-22)29-18-24(28)17-27-13-12-20-4-1-2-5-23(20)16-27/h1-11,14,24,28H,12-13,16-18H2
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| InChIKey |
DISKEWMLHADUHY-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