General Information of the Compound
| Compound ID |
CP0549822
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| Compound Name |
(2R)-N-(4-carbamimidoylphenyl)-2-[(4-chlorophenyl)sulfonylamino]-2-cyclohexylacetamide
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| Structure |
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| Formula |
C21H25ClN4O3S
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| Molecular Weight |
448.976
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| Canonical SMILES |
NC(=N)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C2CCCCC2)cc1
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| InChI |
InChI=1S/C21H25ClN4O3S/c22-16-8-12-18(13-9-16)30(28,29)26-19(14-4-2-1-3-5-14)21(27)25-17-10-6-15(7-11-17)20(23)24/h6-14,19,26H,1-5H2,(H3,23,24)(H,25,27)/t19-/m1/s1
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| InChIKey |
JQXWHSPGFYOVPN-LJQANCHMSA-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