General Information of the Compound
| Compound ID |
CP0534540
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| Compound Name |
4-[2-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]benzimidazol-1-yl]butan-1-ol
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| Structure |
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| Formula |
C22H21N5OS
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| Molecular Weight |
403.511
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| Canonical SMILES |
OCCCCn1c(Cn2c(nc3ccccc23)-c2cscn2)nc2ccccc12
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| InChI |
InChI=1S/C22H21N5OS/c28-12-6-5-11-26-19-9-3-1-7-16(19)24-21(26)13-27-20-10-4-2-8-17(20)25-22(27)18-14-29-15-23-18/h1-4,7-10,14-15,28H,5-6,11-13H2
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| InChIKey |
JONJSCAZZSVTID-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