General Information of the Compound
| Compound ID |
CP0442720
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| Compound Name |
N-[1-(1,3-benzoxazol-6-ylmethyl)piperidin-4-yl]-7-fluoro-4-oxochromene-2-carboxamide
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| Structure |
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| Formula |
C23H20FN3O4
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| Molecular Weight |
421.428
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| Canonical SMILES |
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3ncoc3c2)CC1
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| InChI |
InChI=1S/C23H20FN3O4/c24-15-2-3-17-19(28)11-22(31-20(17)10-15)23(29)26-16-5-7-27(8-6-16)12-14-1-4-18-21(9-14)30-13-25-18/h1-4,9-11,13,16H,5-8,12H2,(H,26,29)
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| InChIKey |
OCMCRRBEHXHBIV-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