General Information of the Compound
| Compound ID |
CP0947188
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| Compound Name |
2-allyl-2-(1-ethyl-2-(hydroxydiphenylmethyl)-1H-benzo[d]imidazol-6-yl)propane-1,3-diol
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| Structure |
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| Formula |
C28H30N2O3
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| Molecular Weight |
442.559
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| Canonical SMILES |
C=CCC(CO)(CO)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CC)c2c1
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| InChI |
InChI=1S/C28H30N2O3/c1-3-17-27(19-31,20-32)23-15-16-24-25(18-23)30(4-2)26(29-24)28(33,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h3,5-16,18,31-33H,1,4,17,19-20H2,2H3
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| InChIKey |
VCZSWGJNLYGKTR-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