General Information of the Compound
| Compound ID |
CP0253766
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| Compound Name |
2,4,5-tri-substituted imidazole, 21i
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| Structure |
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| Formula |
C30H35N5O3S
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| Molecular Weight |
545.709
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| Canonical SMILES |
COc1ccc(cc1)-c1nc([nH]c1CCNS(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)-c1ccccc1
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| InChI |
InChI=1S/C30H35N5O3S/c1-34(26-18-20-35(22-26)21-23-9-5-3-6-10-23)39(36,37)31-19-17-28-29(24-13-15-27(38-2)16-14-24)33-30(32-28)25-11-7-4-8-12-25/h3-16,26,31H,17-22H2,1-2H3,(H,32,33)/t26-/m1/s1
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| InChIKey |
WCQVAWSYBDYEEQ-AREMUKBSSA-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