General Information of the Compound
| Compound ID |
CP0903815
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| Compound Name |
N-[3-Amino-5-(4-chlorophenyl)-1-benzofuran-2-yl]carbonyl)-O-benzyltyrosine
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| Structure |
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| Formula |
C31H25ClN2O5
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| Molecular Weight |
541.003
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| Canonical SMILES |
Nc1c(C(=O)NC(Cc2ccc(OCc3ccccc3)cc2)C(=O)O)oc2ccc(-c3ccc(Cl)cc3)cc12
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| InChI |
InChI=1S/C31H25ClN2O5/c32-23-11-8-21(9-12-23)22-10-15-27-25(17-22)28(33)29(39-27)30(35)34-26(31(36)37)16-19-6-13-24(14-7-19)38-18-20-4-2-1-3-5-20/h1-15,17,26H,16,18,33H2,(H,34,35)(H,36,37)
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| InChIKey |
OVKUONYLCDJZGD-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