General Information of the Compound
| Compound ID |
CP0400318
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| Compound Name |
3-((1-Cyclohexyl-3-hydroxypropan-2-ylamino)methyl)-5-(cyclohexylmethoxy)-4H-chromen-4-one
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| Structure |
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| Formula |
C26H37NO4
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| Molecular Weight |
427.585
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| Canonical SMILES |
OCC(CC1CCCCC1)NCc1coc2cccc(OCC3CCCCC3)c2c1=O
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| InChI |
InChI=1S/C26H37NO4/c28-16-22(14-19-8-3-1-4-9-19)27-15-21-18-31-24-13-7-12-23(25(24)26(21)29)30-17-20-10-5-2-6-11-20/h7,12-13,18-20,22,27-28H,1-6,8-11,14-17H2
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| InChIKey |
ZHMNEHUEHZCUSB-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