General Information of the Compound
| Compound ID |
CP0510959
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| Compound Name |
3-[3,3-dimethyl-4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]piperazin-1-yl]propyl 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)OCCCN1CCN(CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)C(C)(C)C1
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| InChI |
InChI=1S/C32H46N2O10/c1-32(2)21-33(11-9-15-43-30(35)22-17-24(37-3)28(41-7)25(18-22)38-4)13-14-34(32)12-10-16-44-31(36)23-19-26(39-5)29(42-8)27(20-23)40-6/h17-20H,9-16,21H2,1-8H3
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| InChIKey |
LQGBVWMDQMRYQW-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