General Information of the Compound
| Compound ID |
CP0002049
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| Compound Name |
US9777008, Compound 185
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| Structure |
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| Formula |
C29H32N2O3
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| Molecular Weight |
456.586
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| Canonical SMILES |
OC(COc1cccc(c1)-c1cccc(c1)C(=O)N1CCCC1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C29H32N2O3/c32-27(20-30-16-13-22-7-1-2-8-26(22)19-30)21-34-28-12-6-10-24(18-28)23-9-5-11-25(17-23)29(33)31-14-3-4-15-31/h1-2,5-12,17-18,27,32H,3-4,13-16,19-21H2
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| InChIKey |
BYVQZIUSFGGVMI-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