General Information of the Compound
| Compound ID |
CP0485679
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| Compound Name |
(2R)-N-(4-carbamimidoylphenyl)-2-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]acetamide
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| Structure |
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| Formula |
C22H28N4O4S
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| Molecular Weight |
444.557
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N[C@H](C1CCCCC1)C(=O)Nc1ccc(cc1)C(N)=N
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| InChI |
InChI=1S/C22H28N4O4S/c1-30-18-11-13-19(14-12-18)31(28,29)26-20(15-5-3-2-4-6-15)22(27)25-17-9-7-16(8-10-17)21(23)24/h7-15,20,26H,2-6H2,1H3,(H3,23,24)(H,25,27)/t20-/m1/s1
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| InChIKey |
QIDLIGWTQKCWQY-HXUWFJFHSA-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