General Information of the Compound
| Compound ID |
CP0452606
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| Compound Name |
N'-[2-[(3-methylphenyl)sulfonylamino]ethyl]-4-phenylpiperidine-1-carboximidamide
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| Structure |
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| Formula |
C21H28N4O2S
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| Molecular Weight |
400.548
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| Canonical SMILES |
Cc1cccc(c1)S(=O)(=O)NCCN=C(N)N1CCC(CC1)c1ccccc1
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| InChI |
InChI=1S/C21H28N4O2S/c1-17-6-5-9-20(16-17)28(26,27)24-13-12-23-21(22)25-14-10-19(11-15-25)18-7-3-2-4-8-18/h2-9,16,19,24H,10-15H2,1H3,(H2,22,23)
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| InChIKey |
GICQKQBMZRXJLR-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