General Information of the Compound
| Compound ID |
CP0458469
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| Compound Name |
4-[4-[4-(3,4,5-trimethoxybenzoyl)oxybutyl]piperazin-1-yl]butyl 3,4,5-trimethoxybenzoate
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| Structure |
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| Formula |
C32H46N2O10
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| Molecular Weight |
618.724
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)OCCCCN1CCN(CCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
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| InChI |
InChI=1S/C32H46N2O10/c1-37-25-19-23(20-26(38-2)29(25)41-5)31(35)43-17-9-7-11-33-13-15-34(16-14-33)12-8-10-18-44-32(36)24-21-27(39-3)30(42-6)28(22-24)40-4/h19-22H,7-18H2,1-6H3
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| InChIKey |
FIYNXCXTJKFSCB-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