General Information of the Compound
| Compound ID |
CP0274462
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| Compound Name |
5-[2-[1-[3-(3,4-dichlorophenyl)propanoyl]azetidin-3-yl]oxyphenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
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| Formula |
C31H34Cl2N4O3
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| Molecular Weight |
581.544
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| Canonical SMILES |
Clc1ccc(CCC(=O)N2CC(C2)Oc2ccccc2-c2cncc(c2)C(=O)NCCCN2CCCC2)cc1Cl
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| InChI |
InChI=1S/C31H34Cl2N4O3/c32-27-10-8-22(16-28(27)33)9-11-30(38)37-20-25(21-37)40-29-7-2-1-6-26(29)23-17-24(19-34-18-23)31(39)35-12-5-15-36-13-3-4-14-36/h1-2,6-8,10,16-19,25H,3-5,9,11-15,20-21H2,(H,35,39)
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| InChIKey |
LQUSONOPQWQVOC-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