General Information of the Compound
| Compound ID |
CP0477926
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| Compound Name |
7-[2-hydroxy-3-(3-methylpiperidin-1-yl)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
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| Structure |
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| Formula |
C21H27NO4
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| Molecular Weight |
357.45
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| Canonical SMILES |
CC1CCCN(CC(O)COc2ccc3c4CCCc4c(=O)oc3c2)C1
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| InChI |
InChI=1S/C21H27NO4/c1-14-4-3-9-22(11-14)12-15(23)13-25-16-7-8-18-17-5-2-6-19(17)21(24)26-20(18)10-16/h7-8,10,14-15,23H,2-6,9,11-13H2,1H3
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| InChIKey |
UMXMNCCQLDHOCG-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