General Information of the Compound
| Compound ID |
CP0542473
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| Compound Name |
2-Benzo[1,3]dioxol-5-yl-4-(3-cyano-propoxy)-6-isopropoxy-2H-chromene-3-carboxylic acid
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| Structure |
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| Formula |
C24H23NO7
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| Molecular Weight |
437.448
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| Canonical SMILES |
CC(C)Oc1ccc2OC(C(C(O)=O)=C(OCCCC#N)c2c1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C24H23NO7/c1-14(2)31-16-6-8-18-17(12-16)23(28-10-4-3-9-25)21(24(26)27)22(32-18)15-5-7-19-20(11-15)30-13-29-19/h5-8,11-12,14,22H,3-4,10,13H2,1-2H3,(H,26,27)
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| InChIKey |
KDHJCWYJNIOYHM-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