General Information of the Compound
| Compound ID |
CP0417006
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| Compound Name |
N-(4-carbamimidoylphenyl)-2-[(4-methylphenyl)sulfonylamino]-4-phenylbutanamide
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| Structure |
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| Formula |
C24H26N4O3S
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| Molecular Weight |
450.564
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)NC(CCc1ccccc1)C(=O)Nc1ccc(cc1)C(N)=N
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| InChI |
InChI=1S/C24H26N4O3S/c1-17-7-14-21(15-8-17)32(30,31)28-22(16-9-18-5-3-2-4-6-18)24(29)27-20-12-10-19(11-13-20)23(25)26/h2-8,10-15,22,28H,9,16H2,1H3,(H3,25,26)(H,27,29)
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| InChIKey |
IWMPEGNVEXTCDL-UHFFFAOYSA-N
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| CAS |
92953-76-9
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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