General Information of the Compound
| Compound ID |
CP0547184
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| Compound Name |
4-Benzyl-N-[4-(2-diisopropylamino-ethoxy)-3-methoxy-phenyl]-benzamide
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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(Cc3ccccc3)cc2)ccc1OCCN(C(C)C)C(C)C
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| InChI |
InChI=1S/C29H36N2O3/c1-21(2)31(22(3)4)17-18-34-27-16-15-26(20-28(27)33-5)30-29(32)25-13-11-24(12-14-25)19-23-9-7-6-8-10-23/h6-16,20-22H,17-19H2,1-5H3,(H,30,32)
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| InChIKey |
RHWZNYPLIQGMDA-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