General Information of the Compound
| Compound ID |
CP0422102
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| Compound Name |
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-[2-(pyridin-3-ylsulfonylamino)ethyl]benzimidazol-1-yl]acetamide
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| Formula |
C25H25N5O3S
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| Molecular Weight |
475.574
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| Canonical SMILES |
O=C(Cn1c(CCNS(=O)(=O)c2cccnc2)nc2ccccc12)Nc1ccc2CCCc2c1
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| InChI |
InChI=1S/C25H25N5O3S/c31-25(28-20-11-10-18-5-3-6-19(18)15-20)17-30-23-9-2-1-8-22(23)29-24(30)12-14-27-34(32,33)21-7-4-13-26-16-21/h1-2,4,7-11,13,15-16,27H,3,5-6,12,14,17H2,(H,28,31)
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| InChIKey |
NBMGXMCDXXGRPQ-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