General Information of the Compound
| Compound ID |
CP0967645
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| Compound Name |
O-Benzyl-N-({6-[(E)-2-(4-methylphenyl)ethenyl]imidazo[1,2-a]pyridin-2-yl}carbonyl)tyrosine
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| Structure |
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| Formula |
C33H29N3O4
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| Molecular Weight |
531.612
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| Canonical SMILES |
Cc1ccc(/C=C/c2ccc3nc(C(=O)NC(Cc4ccc(OCc5ccccc5)cc4)C(=O)O)cn3c2)cc1
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| InChI |
InChI=1S/C33H29N3O4/c1-23-7-9-24(10-8-23)11-12-26-15-18-31-34-30(21-36(31)20-26)32(37)35-29(33(38)39)19-25-13-16-28(17-14-25)40-22-27-5-3-2-4-6-27/h2-18,20-21,29H,19,22H2,1H3,(H,35,37)(H,38,39)/b12-11+
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| InChIKey |
UMXNHIJUANIVHH-VAWYXSNFSA-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