General Information of the Compound
| Compound ID |
CP0536933
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| Compound Name |
N-[5-(diaminomethylideneamino)-1-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-2-yl]-2,2,2-triphenylacetamide
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| Structure |
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| Formula |
C36H39N5O2
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| Molecular Weight |
573.741
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| Canonical SMILES |
NC(=N)NCCCC(NC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCCc2ccccc2C1
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| InChI |
InChI=1S/C36H39N5O2/c37-35(38)39-24-12-23-32(33(42)41-25-13-16-27-14-10-11-15-28(27)26-41)40-34(43)36(29-17-4-1-5-18-29,30-19-6-2-7-20-30)31-21-8-3-9-22-31/h1-11,14-15,17-22,32H,12-13,16,23-26H2,(H,40,43)(H4,37,38,39)
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| InChIKey |
FIIYAKYXWRESQR-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