General Information of the Compound
| Compound ID |
CP0549826
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| Compound Name |
5-chloro-1-(3-methylsulfonylpropyl)-2-[(3-methylsulfonylpyrrolo[2,3-c]pyridin-1-yl)methyl]benzimidazole
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| Structure |
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| Formula |
C20H21ClN4O4S2
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| Molecular Weight |
480.999
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| Canonical SMILES |
CS(=O)(=O)CCCn1c(Cn2cc(c3ccncc23)S(C)(=O)=O)nc2cc(Cl)ccc12
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| InChI |
InChI=1S/C20H21ClN4O4S2/c1-30(26,27)9-3-8-25-17-5-4-14(21)10-16(17)23-20(25)13-24-12-19(31(2,28)29)15-6-7-22-11-18(15)24/h4-7,10-12H,3,8-9,13H2,1-2H3
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| InChIKey |
VBMZSHRZABCDIN-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