General Information of the Compound
| Compound ID |
CP0952219
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| Compound Name |
N-{[6-(4-Chlorophenyl)-3-methyl-1-benzofuran-2-yl]carbonyl}-O-(3-thienylmethyl)-L-tyrosine
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| Structure |
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| Formula |
C30H24ClNO5S
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| Molecular Weight |
546.044
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| Canonical SMILES |
Cc1c(C(=O)N[C@@H](Cc2ccc(OCc3ccsc3)cc2)C(=O)O)oc2cc(-c3ccc(Cl)cc3)ccc12
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| InChI |
InChI=1S/C30H24ClNO5S/c1-18-25-11-6-22(21-4-7-23(31)8-5-21)15-27(25)37-28(18)29(33)32-26(30(34)35)14-19-2-9-24(10-3-19)36-16-20-12-13-38-17-20/h2-13,15,17,26H,14,16H2,1H3,(H,32,33)(H,34,35)/t26-/m0/s1
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| InChIKey |
UHFXHAMVFWEJNB-SANMLTNESA-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