General Information of the Compound
| Compound ID |
CP0952987
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| Compound Name |
O-Benzyl-N-{[6-(4-chlorophenyl)-1H-benzimidazol-2-yl]carbonyl}tyrosine
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| Structure |
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| Formula |
C30H24ClN3O4
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| Molecular Weight |
525.992
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| Canonical SMILES |
O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1nc2cc(-c3ccc(Cl)cc3)ccc2[nH]1
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| InChI |
InChI=1S/C30H24ClN3O4/c31-23-11-8-21(9-12-23)22-10-15-25-26(17-22)33-28(32-25)29(35)34-27(30(36)37)16-19-6-13-24(14-7-19)38-18-20-4-2-1-3-5-20/h1-15,17,27H,16,18H2,(H,32,33)(H,34,35)(H,36,37)
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| InChIKey |
CVSWEPVMLGFMRM-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