General Information of the Compound
| Compound ID |
CP0167045
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| Compound Name |
3-(1-acetyl-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-2H-chromen-2-one
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| Structure |
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| Formula |
C21H18N2O4
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| Molecular Weight |
362.385
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| Canonical SMILES |
COc1ccc(cc1)C1CC(=NN1C(C)=O)c1cc2ccccc2oc1=O
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| InChI |
InChI=1S/C21H18N2O4/c1-13(24)23-19(14-7-9-16(26-2)10-8-14)12-18(22-23)17-11-15-5-3-4-6-20(15)27-21(17)25/h3-11,19H,12H2,1-2H3
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| InChIKey |
PCIIJXPELZPHAW-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