General Information of the Compound
| Compound ID |
CP0421191
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| Compound Name |
N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-2-methyl-4-phenylbenzamide
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| Structure |
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| Formula |
C29H36N2O3
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| Molecular Weight |
460.618
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| Canonical SMILES |
COc1cc(NC(=O)c2ccc(cc2C)-c2ccccc2)ccc1OCCN(C(C)C)C(C)C
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| InChI |
InChI=1S/C29H36N2O3/c1-20(2)31(21(3)4)16-17-34-27-15-13-25(19-28(27)33-6)30-29(32)26-14-12-24(18-22(26)5)23-10-8-7-9-11-23/h7-15,18-21H,16-17H2,1-6H3,(H,30,32)
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| InChIKey |
QOJDYJGSBQKESS-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