General Information of the Compound
| Compound ID |
CP0913820
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| Compound Name |
2-(4-(tert-Butyl)phenyl)-4-(4-(prop-2-yn-1-yl)piperazin-1-yl)-1H-benzo[d]imidazole
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| Structure |
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| Formula |
C24H28N4
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| Molecular Weight |
372.516
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| Canonical SMILES |
C#CCN1CCN(c2cccc3[nH]c(-c4ccc(C(C)(C)C)cc4)nc23)CC1
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| InChI |
InChI=1S/C24H28N4/c1-5-13-27-14-16-28(17-15-27)21-8-6-7-20-22(21)26-23(25-20)18-9-11-19(12-10-18)24(2,3)4/h1,6-12H,13-17H2,2-4H3,(H,25,26)
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| InChIKey |
CKLKYWILOLVBGU-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