General Information of the Compound
| Compound ID |
CP0577530
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| Compound Name |
2-[4-[2-[1-[(4-carboxyphenyl)methyl]-5-(2,2-dimethylpropyl)imidazol-2-yl]ethyl]phenyl]-6-fluorobenzoic acid
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| Structure |
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| Formula |
C31H31FN2O4
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| Molecular Weight |
514.597
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| Canonical SMILES |
CC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccc(F)c2C(O)=O)n1Cc1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C31H31FN2O4/c1-31(2,3)17-24-18-33-27(34(24)19-21-9-14-23(15-10-21)29(35)36)16-11-20-7-12-22(13-8-20)25-5-4-6-26(32)28(25)30(37)38/h4-10,12-15,18H,11,16-17,19H2,1-3H3,(H,35,36)(H,37,38)
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| InChIKey |
XNLXDOOTASTHRA-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