General Information of the Compound
| Compound ID |
CP0530528
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| Compound Name |
5-[4-(cyclooctylmethyl)piperazin-1-yl]-6-fluoro-2-[(4-fluorophenyl)methylsulfanyl]-1H-benzimidazole
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| Structure |
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| Formula |
C27H34F2N4S
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| Molecular Weight |
484.66
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| Canonical SMILES |
Fc1ccc(CSc2nc3cc(F)c(cc3[nH]2)N2CCN(CC3CCCCCCC3)CC2)cc1
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| InChI |
InChI=1S/C27H34F2N4S/c28-22-10-8-21(9-11-22)19-34-27-30-24-16-23(29)26(17-25(24)31-27)33-14-12-32(13-15-33)18-20-6-4-2-1-3-5-7-20/h8-11,16-17,20H,1-7,12-15,18-19H2,(H,30,31)
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| InChIKey |
GJPKKBMGUAKZRZ-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