General Information of the Compound
| Compound ID |
CP0552651
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| Compound Name |
4-[5-methyl-4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]-1,3-thiazol-2-yl]benzonitrile
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| Structure |
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| Formula |
C23H23N3OS
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| Molecular Weight |
389.524
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| Canonical SMILES |
Cc1sc(nc1OCc1ccc(CN2CCCC2)cc1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C23H23N3OS/c1-17-22(25-23(28-17)21-10-8-18(14-24)9-11-21)27-16-20-6-4-19(5-7-20)15-26-12-2-3-13-26/h4-11H,2-3,12-13,15-16H2,1H3
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| InChIKey |
ZERJYIXEBLEEBC-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