General Information of the Compound
| Compound ID |
CP0473921
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| Compound Name |
4-[[5-[3-(1H-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzonitrile
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| Structure |
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| Formula |
C24H16N8
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| Molecular Weight |
416.448
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| Canonical SMILES |
N#Cc1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)cc1
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| InChI |
InChI=1S/C24H16N8/c25-13-16-1-3-17(4-2-16)15-31-23(9-10-27-31)18-6-8-21-24(11-18)32(30-29-21)20-7-5-19-14-26-28-22(19)12-20/h1-12,14H,15H2,(H,26,28)
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| InChIKey |
JUOVQKGKFVIISM-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