General Information of the Compound
| Compound ID |
CP0445153
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| Compound Name |
4-[(2,4-dichlorophenoxy)methyl]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide
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| Structure |
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| Formula |
C24H29Cl2N3O2
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| Molecular Weight |
462.421
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| Canonical SMILES |
CN1CCC(CC1)N1CCC(C1)NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)cc1
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| InChI |
InChI=1S/C24H29Cl2N3O2/c1-28-11-9-21(10-12-28)29-13-8-20(15-29)27-24(30)18-4-2-17(3-5-18)16-31-23-7-6-19(25)14-22(23)26/h2-7,14,20-21H,8-13,15-16H2,1H3,(H,27,30)
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| InChIKey |
XNDVKZIHBSAUMX-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