General Information of the Compound
| Compound ID |
CP0481642
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| Compound Name |
3-(4-benzoyl-1,4-diazepan-1-yl)propyl 3,4,5-trimethoxybenzoate
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| Structure |
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| Formula |
C25H32N2O6
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| Molecular Weight |
456.539
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)OCCCN1CCCN(CC1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C25H32N2O6/c1-30-21-17-20(18-22(31-2)23(21)32-3)25(29)33-16-8-12-26-11-7-13-27(15-14-26)24(28)19-9-5-4-6-10-19/h4-6,9-10,17-18H,7-8,11-16H2,1-3H3
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| InChIKey |
UPLSSZAEUBFQTR-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