General Information of the Compound
| Compound ID |
CP0405502
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| Compound Name |
2-(4-hex-5-ynoxyphenyl)-3-[(3-methoxyphenyl)methoxy]chromen-4-one
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| Structure |
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| Formula |
C29H26O5
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| Molecular Weight |
454.522
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| Canonical SMILES |
COc1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCCCC#C)cc2)c1
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| InChI |
InChI=1S/C29H26O5/c1-3-4-5-8-18-32-23-16-14-22(15-17-23)28-29(27(30)25-12-6-7-13-26(25)34-28)33-20-21-10-9-11-24(19-21)31-2/h1,6-7,9-17,19H,4-5,8,18,20H2,2H3
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| InChIKey |
ZSEYRIFCUPMRMQ-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