General Information of the Compound
| Compound ID |
CP0864620
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| Compound Name |
O-Benzyl-N-({6-[(E)-2-phenylethenyl]-1H-benzimidazol-2-yl}carbonyl)tyrosine
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| Structure |
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| Formula |
C32H27N3O4
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| Molecular Weight |
517.585
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| Canonical SMILES |
O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1nc2ccc(/C=C/c3ccccc3)cc2[nH]1
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| InChI |
InChI=1S/C32H27N3O4/c36-31(30-33-27-18-15-23(19-28(27)34-30)12-11-22-7-3-1-4-8-22)35-29(32(37)38)20-24-13-16-26(17-14-24)39-21-25-9-5-2-6-10-25/h1-19,29H,20-21H2,(H,33,34)(H,35,36)(H,37,38)/b12-11+
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| InChIKey |
QIJPKHCBKMSLCO-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