General Information of the Compound
| Compound ID |
CP0390896
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| Compound Name |
5-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)isothiazole
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| Structure |
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| Formula |
C20H25N3S
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| Molecular Weight |
339.508
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| Canonical SMILES |
CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccns2)[nH]1
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| InChI |
InChI=1S/C20H25N3S/c1-4-20(2,3)13-17-14-21-19(23-17)10-7-15-5-8-16(9-6-15)18-11-12-22-24-18/h5-6,8-9,11-12,14H,4,7,10,13H2,1-3H3,(H,21,23)
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| InChIKey |
GRCKAQPBPSKRBX-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
Protein ID: PT05422, Bombesin receptor subtype-3
Protein ID: PT01996, Bombesin receptor subtype-3