General Information of the Compound
| Compound ID |
CP0452526
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| Compound Name |
1-(4-[N-(2-tert-butyloxy-2-oxoethylcarbamoyl)aminomethyl]-3-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine
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| Structure |
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| Formula |
C26H33N3O4
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| Molecular Weight |
451.567
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| Canonical SMILES |
Cc1cc(ccc1CNC(=O)NCC(=O)OC(C)(C)C)C(=O)N1CCCCc2ccccc12
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| InChI |
InChI=1S/C26H33N3O4/c1-18-15-20(24(31)29-14-8-7-10-19-9-5-6-11-22(19)29)12-13-21(18)16-27-25(32)28-17-23(30)33-26(2,3)4/h5-6,9,11-13,15H,7-8,10,14,16-17H2,1-4H3,(H2,27,28,32)
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| InChIKey |
NOCQUBOWUVERMU-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