General Information of the Compound
| Compound ID |
CP0452525
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| Compound Name |
1-(4-[N-(2-iso-propyloxy-2-oxoethylcarbamoyl)aminomethyl]-3-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine
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| Structure |
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| Formula |
C25H31N3O4
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| Molecular Weight |
437.54
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| Canonical SMILES |
CC(C)OC(=O)CNC(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12
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| InChI |
InChI=1S/C25H31N3O4/c1-17(2)32-23(29)16-27-25(31)26-15-21-12-11-20(14-18(21)3)24(30)28-13-7-6-9-19-8-4-5-10-22(19)28/h4-5,8,10-12,14,17H,6-7,9,13,15-16H2,1-3H3,(H2,26,27,31)
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| InChIKey |
GBXWSNKCBOEVJB-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