General Information of the Compound
| Compound ID |
CP0536144
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| Compound Name |
N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methyl-4-phenylbenzamide
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| Structure |
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| Formula |
C27H30N2O3
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| Molecular Weight |
430.548
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| Canonical SMILES |
COc1cc(ccc1OCCN1CCCC1)N(C)C(=O)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C27H30N2O3/c1-28(27(30)23-12-10-22(11-13-23)21-8-4-3-5-9-21)24-14-15-25(26(20-24)31-2)32-19-18-29-16-6-7-17-29/h3-5,8-15,20H,6-7,16-19H2,1-2H3
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| InChIKey |
ORISXKLAUSKCQY-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