General Information of the Compound
| Compound ID |
CP0468930
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| Compound Name |
2-[4-[2-[5-(2,2-dimethylpropyl)-1-[2-(methanesulfonamido)ethyl]imidazol-2-yl]ethyl]phenyl]-6-fluorobenzoic acid
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| Structure |
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| Formula |
C26H32FN3O4S
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| Molecular Weight |
501.624
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| Canonical SMILES |
CC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccc(F)c2C(O)=O)n1CCNS(C)(=O)=O
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| InChI |
InChI=1S/C26H32FN3O4S/c1-26(2,3)16-20-17-28-23(30(20)15-14-29-35(4,33)34)13-10-18-8-11-19(12-9-18)21-6-5-7-22(27)24(21)25(31)32/h5-9,11-12,17,29H,10,13-16H2,1-4H3,(H,31,32)
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| InChIKey |
BHBIGYHEOKJUDO-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: PT01996, Bombesin receptor subtype-3
Protein ID: PT05422, Bombesin receptor subtype-3