General Information of the Compound
| Compound ID |
CP0415858
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| Compound Name |
4-[4-[(1-cyclopropylcarbonyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]benzenecarbonitrile
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| Structure |
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| Formula |
C23H24N4O3S
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| Molecular Weight |
436.537
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| Canonical SMILES |
O=C(C1CC1)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C23H24N4O3S/c24-16-17-1-5-20(6-2-17)25-11-13-26(14-12-25)31(29,30)21-7-8-22-19(15-21)9-10-27(22)23(28)18-3-4-18/h1-2,5-8,15,18H,3-4,9-14H2
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| InChIKey |
AVLXSCZSESAVBL-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