General Information of the Compound
| Compound ID |
CP0385682
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| Compound Name |
2-[4-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate
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| Structure |
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| Formula |
C28H38N2O10
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| Molecular Weight |
562.616
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)OCCN1CCN(CCOC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
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| InChI |
InChI=1S/C28H38N2O10/c1-33-21-15-19(16-22(34-2)25(21)37-5)27(31)39-13-11-29-7-9-30(10-8-29)12-14-40-28(32)20-17-23(35-3)26(38-6)24(18-20)36-4/h15-18H,7-14H2,1-6H3
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| InChIKey |
CERXKOFDWRFKLC-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: PT04241, Equilibrative nucleoside transporter 1
Protein ID: PT06386, Equilibrative nucleoside transporter 2