General Information of the Compound
| Compound ID |
CP0228880
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| Compound Name |
5-(4-cyclobutyl-1,2,4-triazol-3-yl)-3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-1H-indazole
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| Formula |
C25H23N7
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| Molecular Weight |
421.508
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| Canonical SMILES |
C1CC1c1cn(cn1)-c1cccc(c1)-c1n[nH]c2ccc(cc12)-c1nncn1C1CCC1
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| InChI |
InChI=1S/C25H23N7/c1-3-17(11-20(6-1)31-13-23(26-14-31)16-7-8-16)24-21-12-18(9-10-22(21)28-29-24)25-30-27-15-32(25)19-4-2-5-19/h1,3,6,9-16,19H,2,4-5,7-8H2,(H,28,29)
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| InChIKey |
UKMFYECRYATMFG-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