General Information of the Compound
| Compound ID |
CP0351697
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| Compound Name |
4-(imidazol-1-ylmethyl)-2-pent-2-ynoxyxanthen-9-one
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| Structure |
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| Formula |
C22H18N2O3
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| Molecular Weight |
358.397
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| Canonical SMILES |
CCC#CCOc1cc(Cn2ccnc2)c2oc3ccccc3c(=O)c2c1
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| InChI |
InChI=1S/C22H18N2O3/c1-2-3-6-11-26-17-12-16(14-24-10-9-23-15-24)22-19(13-17)21(25)18-7-4-5-8-20(18)27-22/h4-5,7-10,12-13,15H,2,11,14H2,1H3
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| InChIKey |
KEEDOEWKYCESCS-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