General Information of the Compound
| Compound ID |
CP0891070
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| Compound Name |
4-(4-((1-(1H-benzo[d]imidazol-2-yl)-1H-1,2,3-triazol-4-yl)methyl)piperazin-1-yl)-2-(4-tertbutylphenyl)-1H-benzo[d]imidazole
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| Structure |
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| Formula |
C31H33N9
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| Molecular Weight |
531.668
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| Canonical SMILES |
CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5cn(-c6nc7ccccc7[nH]6)nn5)CC4)cccc3[nH]2)cc1
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| InChI |
InChI=1S/C31H33N9/c1-31(2,3)22-13-11-21(12-14-22)29-32-26-9-6-10-27(28(26)35-29)39-17-15-38(16-18-39)19-23-20-40(37-36-23)30-33-24-7-4-5-8-25(24)34-30/h4-14,20H,15-19H2,1-3H3,(H,32,35)(H,33,34)
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| InChIKey |
VQFMTEHWCRXTQW-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