General Information of the Compound
| Compound ID |
CP0567163
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| Compound Name |
5-[4-[2-[5-[2-(3,4-dimethoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylethoxymethyl]phenyl]-2H-tetrazole
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| Structure |
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| Formula |
C30H31FN6O3S
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| Molecular Weight |
574.682
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| Canonical SMILES |
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOCc2ccc(cc2)-c2nnn[nH]2)n1-c1ccc(F)cc1
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| InChI |
InChI=1S/C30H31FN6O3S/c1-30(2,22-9-14-25(38-3)26(17-22)39-4)27-18-32-29(37(27)24-12-10-23(31)11-13-24)41-16-15-40-19-20-5-7-21(8-6-20)28-33-35-36-34-28/h5-14,17-18H,15-16,19H2,1-4H3,(H,33,34,35,36)
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| InChIKey |
MZNVBILGXVMJOQ-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