General Information of the Compound
| Compound ID |
CP0495850
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| Compound Name |
1-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-[methyl(naphthalen-1-ylmethyl)amino]butan-1-one
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| Structure |
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| Formula |
C28H32N2O2
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| Molecular Weight |
428.576
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| Canonical SMILES |
CN(CCCC(=O)c1ccc2CCN(CCc2c1)C(C)=O)Cc1cccc2ccccc12
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| InChI |
InChI=1S/C28H32N2O2/c1-21(31)30-17-14-22-12-13-25(19-24(22)15-18-30)28(32)11-6-16-29(2)20-26-9-5-8-23-7-3-4-10-27(23)26/h3-5,7-10,12-13,19H,6,11,14-18,20H2,1-2H3
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| InChIKey |
OEQJLAZZFWGUFQ-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