General Information of the Compound
| Compound ID |
CP0377046
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| Compound Name |
1-[3-(3-iodo-4,5-dimethoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
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| Structure |
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| Formula |
C23H21IN2O3
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| Molecular Weight |
500.336
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| Canonical SMILES |
COc1cc(cc(I)c1OC)C1CC(=NN1C(C)=O)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C23H21IN2O3/c1-14(27)26-21(18-11-19(24)23(29-3)22(12-18)28-2)13-20(25-26)17-9-8-15-6-4-5-7-16(15)10-17/h4-12,21H,13H2,1-3H3
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| InChIKey |
IHRXWJARGIHPPB-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