General Information of the Compound
| Compound ID |
CP0100456
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| Compound Name |
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-nitro-4-oxochromene-2-carboxamide
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| Structure |
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| Formula |
C24H25N3O5
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| Molecular Weight |
435.48
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| Canonical SMILES |
[O-][N+](=O)c1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C24H25N3O5/c28-21-15-23(32-22-7-6-19(27(30)31)14-20(21)22)24(29)25-11-8-17-9-12-26(13-10-17)16-18-4-2-1-3-5-18/h1-7,14-15,17H,8-13,16H2,(H,25,29)
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| InChIKey |
ONXNRNIGCHXJJM-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