General Information of the Compound
| Compound ID |
CP0869631
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| Compound Name |
2-(4-tert-Butylphenyl)-4-(4-((1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl)methyl)piperazin-1-yl)-1H-benzo[d]imidazole
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| Structure |
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| Formula |
C30H32FN7
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| Molecular Weight |
509.633
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| Canonical SMILES |
CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5cn(-c6ccc(F)cc6)nn5)CC4)cccc3[nH]2)cc1
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| InChI |
InChI=1S/C30H32FN7/c1-30(2,3)22-9-7-21(8-10-22)29-32-26-5-4-6-27(28(26)33-29)37-17-15-36(16-18-37)19-24-20-38(35-34-24)25-13-11-23(31)12-14-25/h4-14,20H,15-19H2,1-3H3,(H,32,33)
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| InChIKey |
YKNQXKLDNLPHCA-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