General Information of the Compound
| Compound ID |
CP0552400
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| Compound Name |
3-[1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]-N-phenylpropanamide
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| Formula |
C27H26N4O2
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| Molecular Weight |
438.531
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| Canonical SMILES |
O=C(CCc1nc2ccccc2n1CC(=O)Nc1ccc2CCCc2c1)Nc1ccccc1
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| InChI |
InChI=1S/C27H26N4O2/c32-26(28-21-9-2-1-3-10-21)16-15-25-30-23-11-4-5-12-24(23)31(25)18-27(33)29-22-14-13-19-7-6-8-20(19)17-22/h1-5,9-14,17H,6-8,15-16,18H2,(H,28,32)(H,29,33)
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| InChIKey |
CCGARMIFJDJBAE-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