General Information of the Compound
| Compound ID |
CP0967958
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| Compound Name |
O-(4-Chlorobenzyl)-N-{[7-(4-chlorophenyl)imidazo[1,2-a]pyridin-2-yl]carbonyl}tyrosine
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| Structure |
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| Formula |
C30H23Cl2N3O4
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| Molecular Weight |
560.437
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| Canonical SMILES |
O=C(NC(Cc1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)O)c1cn2ccc(-c3ccc(Cl)cc3)cc2n1
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| InChI |
InChI=1S/C30H23Cl2N3O4/c31-23-7-1-20(2-8-23)18-39-25-11-3-19(4-12-25)15-26(30(37)38)34-29(36)27-17-35-14-13-22(16-28(35)33-27)21-5-9-24(32)10-6-21/h1-14,16-17,26H,15,18H2,(H,34,36)(H,37,38)
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| InChIKey |
XNAYLDPWVNEEDR-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