General Information of the Compound
| Compound ID |
CP0408744
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| Compound Name |
MLS-0425662.0001
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| Structure |
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| Formula |
C22H24N4O5S
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| Molecular Weight |
456.524
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)C1CC1
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| InChI |
InChI=1S/C22H24N4O5S/c27-22(16-1-2-16)25-10-9-17-15-20(7-8-21(17)25)32(30,31)24-13-11-23(12-14-24)18-3-5-19(6-4-18)26(28)29/h3-8,15-16H,1-2,9-14H2
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| InChIKey |
CXRWYPDRKHTCGZ-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