General Information of the Compound
| Compound ID |
CP0438348
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| Compound Name |
4-[[5-[7-fluoro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzonitrile
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| Structure |
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| Formula |
C24H15FN8O
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| Molecular Weight |
450.437
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| Canonical SMILES |
Fc1cc(cc2n(nnc12)-c1ccc2[nH]c(=O)[nH]c2c1)-c1ccnn1Cc1ccc(cc1)C#N
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| InChI |
InChI=1S/C24H15FN8O/c25-18-9-16(21-7-8-27-32(21)13-15-3-1-14(12-26)2-4-15)10-22-23(18)30-31-33(22)17-5-6-19-20(11-17)29-24(34)28-19/h1-11H,13H2,(H2,28,29,34)
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| InChIKey |
OWTSFHUTRMIOGF-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