General Information of the Compound
| Compound ID |
CP0555165
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| Compound Name |
3-(4-benzyl-1,4-diazepan-1-yl)propyl 3,4,5-trimethoxybenzoate
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| Structure |
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| Formula |
C25H34N2O5
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| Molecular Weight |
442.556
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)OCCCN1CCCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C25H34N2O5/c1-29-22-17-21(18-23(30-2)24(22)31-3)25(28)32-16-8-13-26-11-7-12-27(15-14-26)19-20-9-5-4-6-10-20/h4-6,9-10,17-18H,7-8,11-16,19H2,1-3H3
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| InChIKey |
LCGPTBYKBNJRTM-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