General Information of the Compound
| Compound ID |
CP0407311
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| Compound Name |
1-cyano-2-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-pyridin-4-ylguanidine
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| Structure |
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| Formula |
C25H41N7O4S
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| Molecular Weight |
535.715
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| Canonical SMILES |
O=S(=O)(CCCCCCNC(NC#N)=Nc1ccncc1)N(OCCN1CCOCC1)C1CCCCC1
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| InChI |
InChI=1S/C25H41N7O4S/c26-22-29-25(30-23-10-13-27-14-11-23)28-12-6-1-2-7-21-37(33,34)32(24-8-4-3-5-9-24)36-20-17-31-15-18-35-19-16-31/h10-11,13-14,24H,1-9,12,15-21H2,(H2,27,28,29,30)
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| InChIKey |
KDVQZTHRZVDQFQ-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: PT01903, Nicotinamide phosphoribosyltransferase
Cell Viability or Cytotoxicity Assay