General Information of the Compound
| Compound ID |
CP0081740
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| Compound Name |
4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propyl-1,3-thiazole
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| Structure |
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| Formula |
C17H22N2S
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| Molecular Weight |
286.444
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| Canonical SMILES |
CCCc1nc(CN2CC[C@@H](C2)c2ccccc2)cs1
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| InChI |
InChI=1S/C17H22N2S/c1-2-6-17-18-16(13-20-17)12-19-10-9-15(11-19)14-7-4-3-5-8-14/h3-5,7-8,13,15H,2,6,9-12H2,1H3/t15-/m0/s1
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| InChIKey |
YIQRLQSFKQBQNL-HNNXBMFYSA-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