General Information of the Compound
| Compound ID |
CP0425861
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| Compound Name |
3-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-5-(cyclohexylmethoxy)chromen-4-one
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| Structure |
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| Formula |
C25H23ClO4
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| Molecular Weight |
422.908
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| Canonical SMILES |
Clc1ccc(cc1)C(=O)\C=C\c1coc2cccc(OCC3CCCCC3)c2c1=O
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| InChI |
InChI=1S/C25H23ClO4/c26-20-12-9-18(10-13-20)21(27)14-11-19-16-30-23-8-4-7-22(24(23)25(19)28)29-15-17-5-2-1-3-6-17/h4,7-14,16-17H,1-3,5-6,15H2/b14-11+
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| InChIKey |
RSZOEBMHNSMXGD-SDNWHVSQSA-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