General Information of the Compound
| Compound ID |
CP0410849
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| Compound Name |
4-amino-3,5-dichloro-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-(1,2,4-triazol-1-yl)butan-2-yl]benzenesulfonamide
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| Structure |
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| Formula |
C18H24Cl2N6O3S
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| Molecular Weight |
475.402
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| Canonical SMILES |
CC1CCN(CC1)C(=O)C(CCn1cncn1)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
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| InChI |
InChI=1S/C18H24Cl2N6O3S/c1-12-2-5-25(6-3-12)18(27)16(4-7-26-11-22-10-23-26)24-30(28,29)13-8-14(19)17(21)15(20)9-13/h8-12,16,24H,2-7,21H2,1H3
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| InChIKey |
LKQQQELQFQUHTJ-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