General Information of the Compound
| Compound ID |
CP0506412
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| Compound Name |
N'-[3-[(3-methylphenyl)sulfonylamino]propyl]-4-phenylpiperidine-1-carboximidamide
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| Structure |
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| Formula |
C22H30N4O2S
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| Molecular Weight |
414.575
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| Canonical SMILES |
Cc1cccc(c1)S(=O)(=O)NCCCN=C(N)N1CCC(CC1)c1ccccc1
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| InChI |
InChI=1S/C22H30N4O2S/c1-18-7-5-10-21(17-18)29(27,28)25-14-6-13-24-22(23)26-15-11-20(12-16-26)19-8-3-2-4-9-19/h2-5,7-10,17,20,25H,6,11-16H2,1H3,(H2,23,24)
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| InChIKey |
SWMHXGLMXDFNTA-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