General Information of the Compound
| Compound ID |
CP0460682
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| Compound Name |
MLS-0364000.0001
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| Structure |
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| Formula |
C23H27N3O3S
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| Molecular Weight |
425.554
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| Canonical SMILES |
CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C23H27N3O3S/c1-17-15-19-16-21(9-10-22(19)26(17)23(27)18-7-8-18)30(28,29)25-13-11-24(12-14-25)20-5-3-2-4-6-20/h2-6,9-10,16-18H,7-8,11-15H2,1H3
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| InChIKey |
KOVRJJLJYOUINC-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