General Information of the Compound
| Compound ID |
CP0572787
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| Compound Name |
6-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
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| Structure |
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| Formula |
C25H25FN6O
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| Molecular Weight |
444.514
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| Canonical SMILES |
COc1ccccc1Cc1nnc(Cc2c[nH]c3cc(F)ccc23)n1CCCc1c[nH]cn1
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| InChI |
InChI=1S/C25H25FN6O/c1-33-23-7-3-2-5-17(23)11-24-30-31-25(32(24)10-4-6-20-15-27-16-29-20)12-18-14-28-22-13-19(26)8-9-21(18)22/h2-3,5,7-9,13-16,28H,4,6,10-12H2,1H3,(H,27,29)
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| InChIKey |
UQXGWXMNHVMSTO-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