General Information of the Compound
| Compound ID |
CP0953990
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| Compound Name |
N-{[6-(4-Chlorophenyl)-1H-benzimidazol-2-yl]carbonyl}-O-(4-fluorobenzyl)tyrosine
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| Structure |
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| Formula |
C30H23ClFN3O4
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| Molecular Weight |
543.982
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| Canonical SMILES |
O=C(NC(Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)O)c1nc2cc(-c3ccc(Cl)cc3)ccc2[nH]1
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| InChI |
InChI=1S/C30H23ClFN3O4/c31-22-8-5-20(6-9-22)21-7-14-25-26(16-21)34-28(33-25)29(36)35-27(30(37)38)15-18-3-12-24(13-4-18)39-17-19-1-10-23(32)11-2-19/h1-14,16,27H,15,17H2,(H,33,34)(H,35,36)(H,37,38)
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| InChIKey |
LGQRYHJFERLFNG-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