General Information of the Compound
| Compound ID |
CP0521055
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| Compound Name |
N-[(1R)-2-(4-carbamimidoylanilino)-1-cyclohexyl-2-oxoethyl]-4-methylbenzamide
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| Structure |
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| Formula |
C23H28N4O2
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| Molecular Weight |
392.503
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| Canonical SMILES |
Cc1ccc(cc1)C(=O)N[C@H](C1CCCCC1)C(=O)Nc1ccc(cc1)C(N)=N
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| InChI |
InChI=1S/C23H28N4O2/c1-15-7-9-18(10-8-15)22(28)27-20(16-5-3-2-4-6-16)23(29)26-19-13-11-17(12-14-19)21(24)25/h7-14,16,20H,2-6H2,1H3,(H3,24,25)(H,26,29)(H,27,28)/t20-/m1/s1
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| InChIKey |
PDYAMQHTGHCSMX-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