General Information of the Compound
| Compound ID |
CP0579183
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| Compound Name |
6-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[(3-methylsulfonylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
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| Structure |
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| Formula |
C25H25FN6O2S
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| Molecular Weight |
492.58
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| Canonical SMILES |
CS(=O)(=O)c1cccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)c1
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| InChI |
InChI=1S/C25H25FN6O2S/c1-35(33,34)21-6-2-4-17(10-21)11-24-30-31-25(32(24)9-3-5-20-15-27-16-29-20)12-18-14-28-23-13-19(26)7-8-22(18)23/h2,4,6-8,10,13-16,28H,3,5,9,11-12H2,1H3,(H,27,29)
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| InChIKey |
UROWFMUIRALGKF-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