General Information of the Compound
| Compound ID |
CP0534935
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| Compound Name |
2-[2-[3-(benzenesulfonamido)propyl]benzimidazol-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
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| Formula |
C27H28N4O3S
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| Molecular Weight |
488.613
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| Canonical SMILES |
O=C(Cn1c(CCCNS(=O)(=O)c2ccccc2)nc2ccccc12)Nc1ccc2CCCc2c1
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| InChI |
InChI=1S/C27H28N4O3S/c32-27(29-22-16-15-20-8-6-9-21(20)18-22)19-31-25-13-5-4-12-24(25)30-26(31)14-7-17-28-35(33,34)23-10-2-1-3-11-23/h1-5,10-13,15-16,18,28H,6-9,14,17,19H2,(H,29,32)
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| InChIKey |
SCMDTPACNZUKIB-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