General Information of the Compound
| Compound ID |
CP0342019
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| Compound Name |
5-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-4-yl)piperazin-1-yl)methyl)quinoxaline
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| Structure |
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| Formula |
C30H32N6
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| Molecular Weight |
476.628
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2cccc3nccnc23)CC1
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| InChI |
InChI=1S/C30H32N6/c1-30(2,3)23-12-10-21(11-13-23)29-33-25-8-5-9-26(28(25)34-29)36-18-16-35(17-19-36)20-22-6-4-7-24-27(22)32-15-14-31-24/h4-15H,16-20H2,1-3H3,(H,33,34)
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| InChIKey |
MRIRODCBQYGJJC-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