General Information of the Compound
| Compound ID |
CP0271586
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| Compound Name |
3-[3-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole
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| Formula |
C26H27N7O
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| Molecular Weight |
453.55
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| Canonical SMILES |
CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(c3)-c3cnn(c3)C3CCOCC3)c2c1
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| InChI |
InChI=1S/C26H27N7O/c1-17(2)32-16-27-31-26(32)20-6-7-24-23(13-20)25(30-29-24)19-5-3-4-18(12-19)21-14-28-33(15-21)22-8-10-34-11-9-22/h3-7,12-17,22H,8-11H2,1-2H3,(H,29,30)
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| InChIKey |
BZEZXUQBWXSKAQ-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