General Information of the Compound
| Compound ID |
CP0477472
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| Compound Name |
[2-[6-(3-chlorophenyl)-4-methylpyridin-3-yl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
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| Structure |
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| Formula |
C21H20ClN3O2
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| Molecular Weight |
381.863
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| Canonical SMILES |
Cc1cc(no1)C(=O)N1CCCC1c1cnc(cc1C)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C21H20ClN3O2/c1-13-9-18(15-5-3-6-16(22)11-15)23-12-17(13)20-7-4-8-25(20)21(26)19-10-14(2)27-24-19/h3,5-6,9-12,20H,4,7-8H2,1-2H3
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| InChIKey |
MRWOIHZAYHSOIU-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