General Information of the Compound
| Compound ID |
CP0422152
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| Compound Name |
N-[3-[1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
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| Formula |
C28H28N4O2
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| Molecular Weight |
452.558
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| Canonical SMILES |
O=C(Cn1c(CCCNC(=O)c2ccccc2)nc2ccccc12)Nc1ccc2CCCc2c1
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| InChI |
InChI=1S/C28H28N4O2/c33-27(30-23-16-15-20-10-6-11-22(20)18-23)19-32-25-13-5-4-12-24(25)31-26(32)14-7-17-29-28(34)21-8-2-1-3-9-21/h1-5,8-9,12-13,15-16,18H,6-7,10-11,14,17,19H2,(H,29,34)(H,30,33)
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| InChIKey |
LGTROFFOBFDVEX-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