General Information of the Compound
| Compound ID |
CP0385330
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| Compound Name |
3-(3,4,5-trimethoxyphenyl)isochromen-1-one
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| Structure |
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| Formula |
C18H16O5
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| Molecular Weight |
312.321
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1cc2ccccc2c(=O)o1
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| InChI |
InChI=1S/C18H16O5/c1-20-15-9-12(10-16(21-2)17(15)22-3)14-8-11-6-4-5-7-13(11)18(19)23-14/h4-10H,1-3H3
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| InChIKey |
PDRCHKWAQZROMU-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