General Information of the Compound
| Compound ID |
CP0429370
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| Compound Name |
N-[2,6-dimethyl-4-(7-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)phenyl]-3,3-dimethylbutanamide
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| Structure |
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| Formula |
C25H34N2O
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| Molecular Weight |
378.56
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| Canonical SMILES |
Cc1ccc2N(CCCCc2c1)c1cc(C)c(NC(=O)CC(C)(C)C)c(C)c1
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| InChI |
InChI=1S/C25H34N2O/c1-17-10-11-22-20(13-17)9-7-8-12-27(22)21-14-18(2)24(19(3)15-21)26-23(28)16-25(4,5)6/h10-11,13-15H,7-9,12,16H2,1-6H3,(H,26,28)
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| InChIKey |
PJAFWWZJZBWULJ-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