General Information of the Compound
| Compound ID |
CP0411833
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| Compound Name |
2-cyclohexyl-5-(cyclohexylmethyl)-3-(3-hydroxypropoxy)chromen-4-one
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| Structure |
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| Formula |
C25H34O4
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| Molecular Weight |
398.543
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| Canonical SMILES |
OCCCOc1c(oc2cccc(CC3CCCCC3)c2c1=O)C1CCCCC1
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| InChI |
InChI=1S/C25H34O4/c26-15-8-16-28-25-23(27)22-20(17-18-9-3-1-4-10-18)13-7-14-21(22)29-24(25)19-11-5-2-6-12-19/h7,13-14,18-19,26H,1-6,8-12,15-17H2
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| InChIKey |
ZGHSUMXNDZNHKB-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