General Information of the Compound
| Compound ID |
CP0306393
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| Compound Name |
3-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-5-(4-(thiophen-3-yl)phenyl)-4H-1,2,4-triazole
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| Structure |
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| Formula |
C23H20ClN3S
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| Molecular Weight |
405.954
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| Canonical SMILES |
Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1ccsc1
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| InChI |
InChI=1S/C23H20ClN3S/c1-27-21(17-5-3-16(4-6-17)18-11-14-28-15-18)25-26-22(27)23(12-2-13-23)19-7-9-20(24)10-8-19/h3-11,14-15H,2,12-13H2,1H3
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| InChIKey |
PUEDNZRROPNXTL-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