General Information of the Compound
| Compound ID |
CP0404124
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| Compound Name |
4-[3-[5-(cyclohexylmethoxy)-4-oxochromen-3-yl]-1-hydroxypropyl]benzonitrile
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| Structure |
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| Formula |
C26H27NO4
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| Molecular Weight |
417.505
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| Canonical SMILES |
OC(CCc1coc2cccc(OCC3CCCCC3)c2c1=O)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C26H27NO4/c27-15-18-9-11-20(12-10-18)22(28)14-13-21-17-31-24-8-4-7-23(25(24)26(21)29)30-16-19-5-2-1-3-6-19/h4,7-12,17,19,22,28H,1-3,5-6,13-14,16H2
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| InChIKey |
ZTYMJRZIERRCMW-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