General Information of the Compound
| Compound ID |
CP0077259
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| Compound Name |
N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-4-(morpholin-4-yl)benzamide
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| Structure |
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| Formula |
C20H26N4O3
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| Molecular Weight |
370.453
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| Canonical SMILES |
O=C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)N1CCOCC1
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| InChI |
InChI=1S/C20H26N4O3/c21-10-11-22-19(26)20(8-2-1-3-9-20)23-18(25)16-4-6-17(7-5-16)24-12-14-27-15-13-24/h4-7H,1-3,8-9,11-15H2,(H,22,26)(H,23,25)
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| InChIKey |
VPDSKJMUTGIXQJ-UHFFFAOYSA-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: PT00974, Cathepsin B
Protein ID: PT01006, Cathepsin S
Protein ID: PT00830, Procathepsin L