General Information of the Compound
| Compound ID |
CP0538715
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| Compound Name |
1-(4-[N-(2-Methoxy-2-oxoethylcarbamoyl]aminomethyl]-3-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine
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| Structure |
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| Formula |
C23H27N3O4
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| Molecular Weight |
409.486
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| Canonical SMILES |
COC(=O)CNC(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12
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| InChI |
InChI=1S/C23H27N3O4/c1-16-13-18(10-11-19(16)14-24-23(29)25-15-21(27)30-2)22(28)26-12-6-5-8-17-7-3-4-9-20(17)26/h3-4,7,9-11,13H,5-6,8,12,14-15H2,1-2H3,(H2,24,25,29)
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| InChIKey |
BORVLTYUPGZZMD-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