General Information of the Compound
| Compound ID |
CP0530529
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| Compound Name |
5-(4-benzylpiperazin-1-yl)-6-fluoro-2-[(4-fluorophenyl)methylsulfanyl]-1H-benzimidazole
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| Structure |
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| Formula |
C25H24F2N4S
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| Molecular Weight |
450.558
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| Canonical SMILES |
Fc1ccc(CSc2nc3cc(F)c(cc3[nH]2)N2CCN(Cc3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C25H24F2N4S/c26-20-8-6-19(7-9-20)17-32-25-28-22-14-21(27)24(15-23(22)29-25)31-12-10-30(11-13-31)16-18-4-2-1-3-5-18/h1-9,14-15H,10-13,16-17H2,(H,28,29)
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| InChIKey |
IIXOKRLJQOTZKF-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