General Information of the Compound
| Compound ID |
CP0216665
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| Compound Name |
3-(3-Carbamimidoyl-phenyl)-2-[2-(toluene-4-sulfonylamino)-acetylamino]-propionic acid methyl ester
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| Structure |
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| Formula |
C20H24N4O5S
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| Molecular Weight |
432.502
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| Canonical SMILES |
COC(=O)C(Cc1cccc(c1)C(N)=N)NC(=O)CNS(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C20H24N4O5S/c1-13-6-8-16(9-7-13)30(27,28)23-12-18(25)24-17(20(26)29-2)11-14-4-3-5-15(10-14)19(21)22/h3-10,17,23H,11-12H2,1-2H3,(H3,21,22)(H,24,25)
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| InChIKey |
YAEIKQDHLCFGAA-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
Protein ID: PT03005, Serine protease hepsin
Protein ID: PT01043, Urokinase-type plasminogen activator