General Information of the Compound
| Compound ID |
CP0552238
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| Compound Name |
4-[5-methyl-4-(3-piperidin-1-ylpropoxy)-1,3-thiazol-2-yl]benzonitrile
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| Structure |
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| Formula |
C19H23N3OS
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| Molecular Weight |
341.48
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| Canonical SMILES |
Cc1sc(nc1OCCCN1CCCCC1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C19H23N3OS/c1-15-18(23-13-5-12-22-10-3-2-4-11-22)21-19(24-15)17-8-6-16(14-20)7-9-17/h6-9H,2-5,10-13H2,1H3
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| InChIKey |
XGCVWZLQEFMLEW-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