General Information of the Compound
| Compound ID |
CP0015868
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| Compound Name |
5-(1-methylimidazol-4-yl)-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole
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| Structure |
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| Formula |
C22H20N6
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| Molecular Weight |
368.444
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| Canonical SMILES |
Cn1cnc(c1)-c1ccc2[nH]nc(Cc3ccc(cc3)-c3cnn(C)c3)c2c1
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| InChI |
InChI=1S/C22H20N6/c1-27-13-22(23-14-27)17-7-8-20-19(10-17)21(26-25-20)9-15-3-5-16(6-4-15)18-11-24-28(2)12-18/h3-8,10-14H,9H2,1-2H3,(H,25,26)
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| InChIKey |
LZRZCEHXAQZTIA-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