General Information of the Compound
| Compound ID |
CP0748625
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| Compound Name |
3-(3-(1-(1-ethoxyethyl)-1H-pyrazol-4-yl)phenyl)-5-(4-isopropyl-4H-1,2,4-triazol-3-yl)-1H-indazole
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| Formula |
C25H27N7O
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| Molecular Weight |
441.539
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| Canonical SMILES |
CCOC(C)n1cc(-c2cccc(-c3n[nH]c4ccc(-c5nncn5C(C)C)cc34)c2)cn1
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| InChI |
InChI=1S/C25H27N7O/c1-5-33-17(4)32-14-21(13-27-32)18-7-6-8-19(11-18)24-22-12-20(9-10-23(22)28-29-24)25-30-26-15-31(25)16(2)3/h6-17H,5H2,1-4H3,(H,28,29)
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| InChIKey |
WGSDWTTYOCVDFS-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