General Information of the Compound
| Compound ID |
CP0536463
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| Compound Name |
1-[2-oxo-2-[5-(2-oxochromen-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C26H26N4O4
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| Molecular Weight |
458.518
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| Canonical SMILES |
NC(=O)C1CCN(CC(=O)N2N=C(CC2c2ccccc2)c2cc3ccccc3oc2=O)CC1
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| InChI |
InChI=1S/C26H26N4O4/c27-25(32)18-10-12-29(13-11-18)16-24(31)30-22(17-6-2-1-3-7-17)15-21(28-30)20-14-19-8-4-5-9-23(19)34-26(20)33/h1-9,14,18,22H,10-13,15-16H2,(H2,27,32)
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| InChIKey |
BQPUAIXKKVCRGQ-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