General Information of the Compound
| Compound ID |
CP0468759
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| Compound Name |
methyl 2-[4-[2-[5-(2,2-dimethylpropyl)-1-[2-(methanesulfonamido)ethyl]imidazol-2-yl]ethyl]phenyl]-6-fluorobenzoate
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| Structure |
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| Formula |
C27H34FN3O4S
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| Molecular Weight |
515.651
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| Canonical SMILES |
COC(=O)c1c(F)cccc1-c1ccc(CCc2ncc(CC(C)(C)C)n2CCNS(C)(=O)=O)cc1
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| InChI |
InChI=1S/C27H34FN3O4S/c1-27(2,3)17-21-18-29-24(31(21)16-15-30-36(5,33)34)14-11-19-9-12-20(13-10-19)22-7-6-8-23(28)25(22)26(32)35-4/h6-10,12-13,18,30H,11,14-17H2,1-5H3
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| InChIKey |
ZWRCRQVQVRFDOL-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