General Information of the Compound
| Compound ID |
CP0541927
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| Compound Name |
1-(4-[N-(2-Benzyloxy-2-oxoethylcarbamoyl]aminomethyl]-3-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine
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| Structure |
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| Formula |
C29H31N3O4
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| Molecular Weight |
485.584
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| Canonical SMILES |
Cc1cc(ccc1CNC(=O)NCC(=O)OCc1ccccc1)C(=O)N1CCCCc2ccccc12
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| InChI |
InChI=1S/C29H31N3O4/c1-21-17-24(28(34)32-16-8-7-12-23-11-5-6-13-26(23)32)14-15-25(21)18-30-29(35)31-19-27(33)36-20-22-9-3-2-4-10-22/h2-6,9-11,13-15,17H,7-8,12,16,18-20H2,1H3,(H2,30,31,35)
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| InChIKey |
UPGRNLHTIRHMDB-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