General Information of the Compound
| Compound ID |
CP0534622
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| Compound Name |
4-amino-3,5-dichloro-N-[4-(5-cyanopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
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| Structure |
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| Formula |
C20H24Cl2N6O3S
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| Molecular Weight |
499.424
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| Canonical SMILES |
CC1CCN(CC1)C(=O)C(CCn1nccc1C#N)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
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| InChI |
InChI=1S/C20H24Cl2N6O3S/c1-13-3-7-27(8-4-13)20(29)18(5-9-28-14(12-23)2-6-25-28)26-32(30,31)15-10-16(21)19(24)17(22)11-15/h2,6,10-11,13,18,26H,3-5,7-9,24H2,1H3
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| InChIKey |
AJOHGFSOOMQDMR-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
Protein ID: PT05484, C-C chemokine receptor type 10
Protein ID: PT06377, C-C chemokine receptor type 10