General Information of the Compound
| Compound ID |
CP0530732
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| Compound Name |
N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-3-phenylbenzamide
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| Structure |
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| Formula |
C28H34N2O3
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| Molecular Weight |
446.591
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| Canonical SMILES |
COc1cc(NC(=O)c2cccc(c2)-c2ccccc2)ccc1OCCN(C(C)C)C(C)C
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| InChI |
InChI=1S/C28H34N2O3/c1-20(2)30(21(3)4)16-17-33-26-15-14-25(19-27(26)32-5)29-28(31)24-13-9-12-23(18-24)22-10-7-6-8-11-22/h6-15,18-21H,16-17H2,1-5H3,(H,29,31)
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| InChIKey |
FHSUGANMRSIROB-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