General Information of the Compound
| Compound ID |
CP0153874
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-cyano-4-oxochromene-2-carboxamide
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| Structure |
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| Formula |
C24H21N3O5
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| Molecular Weight |
431.448
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| Canonical SMILES |
O=C(NC1CCN(Cc2ccc3OCOc3c2)CC1)c1cc(=O)c2ccc(cc2o1)C#N
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| InChI |
InChI=1S/C24H21N3O5/c25-12-15-1-3-18-19(28)11-23(32-21(18)9-15)24(29)26-17-5-7-27(8-6-17)13-16-2-4-20-22(10-16)31-14-30-20/h1-4,9-11,17H,5-8,13-14H2,(H,26,29)
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| InChIKey |
VJPTYAZXVBTBPT-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