General Information of the Compound
| Compound ID |
CP0565753
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| Compound Name |
3-[2-(2-morpholin-4-ylacetyl)-3-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]chromen-2-one
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| Structure |
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| Formula |
C25H22F3N3O4
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| Molecular Weight |
485.462
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| Canonical SMILES |
FC(F)(F)c1ccccc1C1CC(=NN1C(=O)CN1CCOCC1)c1cc2ccccc2oc1=O
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| InChI |
InChI=1S/C25H22F3N3O4/c26-25(27,28)19-7-3-2-6-17(19)21-14-20(18-13-16-5-1-4-8-22(16)35-24(18)33)29-31(21)23(32)15-30-9-11-34-12-10-30/h1-8,13,21H,9-12,14-15H2
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| InChIKey |
CANSHUKJCCHWBV-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