General Information of the Compound
| Compound ID |
CP0419502
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| Compound Name |
N-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-7-methoxy-4-oxochromene-2-carboxamide
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| Structure |
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| Formula |
C24H24N2O6
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| Molecular Weight |
436.464
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| Canonical SMILES |
COc1ccc2c(c1)oc(cc2=O)C(=O)NCC1CCN(Cc2ccc3OCOc3c2)C1
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| InChI |
InChI=1S/C24H24N2O6/c1-29-17-3-4-18-19(27)10-23(32-21(18)9-17)24(28)25-11-16-6-7-26(13-16)12-15-2-5-20-22(8-15)31-14-30-20/h2-5,8-10,16H,6-7,11-14H2,1H3,(H,25,28)
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| InChIKey |
BVDNHCGBDQQNEK-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