General Information of the Compound
| Compound ID |
CP0385705
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| Compound Name |
MLS-0412191.0001
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| Structure |
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| Formula |
C22H24ClN3O3S
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| Molecular Weight |
445.972
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| Canonical SMILES |
Clc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)C1CC1
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| InChI |
InChI=1S/C22H24ClN3O3S/c23-18-3-5-19(6-4-18)24-11-13-25(14-12-24)30(28,29)20-7-8-21-17(15-20)9-10-26(21)22(27)16-1-2-16/h3-8,15-16H,1-2,9-14H2
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| InChIKey |
UGBYBGCCWJERKR-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: PT03645, Nucleotide-binding oligomerization domain-containing protein 1
Protein ID: PT03970, Nucleotide-binding oligomerization domain-containing protein 2