General Information of the Compound
| Compound ID |
CP0459075
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| Compound Name |
benzyl 8-[4-(3-ethoxy-3-oxopropyl)piperazin-1-yl]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate
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| Structure |
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| Formula |
C27H35N3O4
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| Molecular Weight |
465.594
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| Canonical SMILES |
CCOC(=O)CCN1CCN(CC1)c1ccc2CCCN(Cc2c1)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C27H35N3O4/c1-2-33-26(31)12-14-28-15-17-29(18-16-28)25-11-10-23-9-6-13-30(20-24(23)19-25)27(32)34-21-22-7-4-3-5-8-22/h3-5,7-8,10-11,19H,2,6,9,12-18,20-21H2,1H3
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| InChIKey |
AVAGBFBSLZEQQD-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