General Information of the Compound
| Compound ID |
CP0527503
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| Compound Name |
methyl 3-[[2-(4-hex-5-ynoxyphenyl)-4-oxochromen-3-yl]oxymethyl]benzoate
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| Formula |
C30H26O6
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| Molecular Weight |
482.532
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| Canonical SMILES |
COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCCCC#C)cc2)c1
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| InChI |
InChI=1S/C30H26O6/c1-3-4-5-8-18-34-24-16-14-22(15-17-24)28-29(27(31)25-12-6-7-13-26(25)36-28)35-20-21-10-9-11-23(19-21)30(32)33-2/h1,6-7,9-17,19H,4-5,8,18,20H2,2H3
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| InChIKey |
YWAKBNWCYOZOGG-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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT02516, Multidrug resistance-associated protein 1