General Information of the Compound
| Compound ID |
CP0430372
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| Compound Name |
2-[3-(1H-imidazol-5-yl)propyl]-1-(2-phenylethylsulfonyl)guanidine
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| Structure |
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| Formula |
C15H21N5O2S
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| Molecular Weight |
335.433
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| Canonical SMILES |
N=C(NCCCc1cnc[nH]1)NS(=O)(=O)CCc1ccccc1
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| InChI |
InChI=1S/C15H21N5O2S/c16-15(18-9-4-7-14-11-17-12-19-14)20-23(21,22)10-8-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10H2,(H,17,19)(H3,16,18,20)
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| InChIKey |
YCQTVOPSJIIHAH-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