General Information of the Compound
| Compound ID |
CP0873875
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| Compound Name |
O-Benzyl-N-{[5-(phenylethynyl)-1-benzothiophene-2-yl]carbonyl}tyrosine
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| Structure |
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| Formula |
C33H25NO4S
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| Molecular Weight |
531.633
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| Canonical SMILES |
O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cc2cc(C#Cc3ccccc3)ccc2s1
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| InChI |
InChI=1S/C33H25NO4S/c35-32(31-21-27-19-24(15-18-30(27)39-31)12-11-23-7-3-1-4-8-23)34-29(33(36)37)20-25-13-16-28(17-14-25)38-22-26-9-5-2-6-10-26/h1-10,13-19,21,29H,20,22H2,(H,34,35)(H,36,37)
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| InChIKey |
UMXDGKPFCHXTCR-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