General Information of the Compound
| Compound ID |
CP0954257
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| Compound Name |
O-Benzyl-N-{[6-(4-isopropoxyphenyl)imidazo[1,2-a]pyridin-2-yl]carbonyl}tyrosine
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| Structure |
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| Formula |
C33H31N3O5
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| Molecular Weight |
549.627
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| Canonical SMILES |
CC(C)Oc1ccc(-c2ccc3nc(C(=O)NC(Cc4ccc(OCc5ccccc5)cc4)C(=O)O)cn3c2)cc1
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| InChI |
InChI=1S/C33H31N3O5/c1-22(2)41-28-15-10-25(11-16-28)26-12-17-31-34-30(20-36(31)19-26)32(37)35-29(33(38)39)18-23-8-13-27(14-9-23)40-21-24-6-4-3-5-7-24/h3-17,19-20,22,29H,18,21H2,1-2H3,(H,35,37)(H,38,39)
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| InChIKey |
XJEXKJOKRAUHPR-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