General Information of the Compound
| Compound ID |
CP0485687
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| Compound Name |
(2R)-N-(4-carbamimidoylphenyl)-2-cyclohexyl-2-[(4-methylphenyl)carbamoylamino]acetamide
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| Structure |
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| Formula |
C23H29N5O2
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| Molecular Weight |
407.518
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| Canonical SMILES |
Cc1ccc(NC(=O)N[C@H](C2CCCCC2)C(=O)Nc2ccc(cc2)C(N)=N)cc1
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| InChI |
InChI=1S/C23H29N5O2/c1-15-7-11-19(12-8-15)27-23(30)28-20(16-5-3-2-4-6-16)22(29)26-18-13-9-17(10-14-18)21(24)25/h7-14,16,20H,2-6H2,1H3,(H3,24,25)(H,26,29)(H2,27,28,30)/t20-/m1/s1
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| InChIKey |
QZFXKVRIJYOMQE-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