General Information of the Compound
| Compound ID |
CP0474605
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| Compound Name |
MLS-0425629.0001
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| Structure |
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| Formula |
C24H23ClN2O
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| Molecular Weight |
390.914
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| Canonical SMILES |
Clc1ccc(NC(=O)c2ccc(CCN3CCc4ccccc4C3)cc2)cc1
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| InChI |
InChI=1S/C24H23ClN2O/c25-22-9-11-23(12-10-22)26-24(28)20-7-5-18(6-8-20)13-15-27-16-14-19-3-1-2-4-21(19)17-27/h1-12H,13-17H2,(H,26,28)
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| InChIKey |
PFWKCRBPHMRNAX-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