General Information of the Compound
| Compound ID |
CP0453626
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| Compound Name |
4-(2-methoxyphenyl)-N-(2-(3-methylphenylsulfonamido)ethyl)piperazine-1-carboximidamide
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| Structure |
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| Formula |
C21H29N5O3S
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| Molecular Weight |
431.562
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)C(N)=NCCNS(=O)(=O)c1cccc(C)c1
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| InChI |
InChI=1S/C21H29N5O3S/c1-17-6-5-7-18(16-17)30(27,28)24-11-10-23-21(22)26-14-12-25(13-15-26)19-8-3-4-9-20(19)29-2/h3-9,16,24H,10-15H2,1-2H3,(H2,22,23)
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| InChIKey |
NAWQSVHSFGBZLN-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