General Information of the Compound
| Compound ID |
CP0007209
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| Compound Name |
US9777008, Compound 111
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| Structure |
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| Formula |
C26H26N2O2
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| Molecular Weight |
398.506
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| Canonical SMILES |
OC(COc1cccc(c1)-c1cccc(CC#N)c1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C26H26N2O2/c27-13-11-20-5-3-8-22(15-20)23-9-4-10-26(16-23)30-19-25(29)18-28-14-12-21-6-1-2-7-24(21)17-28/h1-10,15-16,25,29H,11-12,14,17-19H2
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| InChIKey |
SFGVGZJMHNGVPT-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