General Information of the Compound
| Compound ID |
CP0437297
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| Compound Name |
methyl 3-[[4-oxo-2-[4-[2-[2-[2-[4-[2-(4-oxo-2-phenylchromen-7-yl)oxyethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]chromen-3-yl]oxymethyl]benzoate
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| Structure |
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| Formula |
C50H45N3O12
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| Molecular Weight |
879.919
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| Canonical SMILES |
COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(COCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1
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| InChI |
InChI=1S/C50H45N3O12/c1-57-50(56)37-11-7-8-34(28-37)32-63-49-47(55)42-12-5-6-13-44(42)65-48(49)36-14-16-39(17-15-36)61-26-24-59-23-22-58-21-20-53-31-38(51-52-53)33-60-25-27-62-40-18-19-41-43(54)30-45(64-46(41)29-40)35-9-3-2-4-10-35/h2-19,28-31H,20-27,32-33H2,1H3
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| InChIKey |
LNLKQRCTDACVMB-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