General Information of the Compound
| Compound ID |
CP0554544
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| Compound Name |
2-(3-chlorophenoxy)-N-(1-((1-(isoxazol-3-yl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)acetamide
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| Structure |
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| Formula |
C21H23ClN4O3
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| Molecular Weight |
414.893
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| Canonical SMILES |
Clc1cccc(OCC(=O)NC2CCN(Cc3ccn(c3)-c3ccon3)CC2)c1
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| InChI |
InChI=1S/C21H23ClN4O3/c22-17-2-1-3-19(12-17)28-15-21(27)23-18-5-8-25(9-6-18)13-16-4-10-26(14-16)20-7-11-29-24-20/h1-4,7,10-12,14,18H,5-6,8-9,13,15H2,(H,23,27)
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| InChIKey |
WUUMNGKLBFZACB-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