General Information of the Compound
| Compound ID |
CP0571233
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| Compound Name |
4-phenyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-7-yl)pyrrolidin-2-one
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| Structure |
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| Formula |
C20H22N2O
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| Molecular Weight |
306.409
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| Canonical SMILES |
O=C1CC(CN1c1ccc2CNCCCc2c1)c1ccccc1
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| InChI |
InChI=1S/C20H22N2O/c23-20-12-18(15-5-2-1-3-6-15)14-22(20)19-9-8-17-13-21-10-4-7-16(17)11-19/h1-3,5-6,8-9,11,18,21H,4,7,10,12-14H2
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| InChIKey |
JAUJZQXYMUFKLA-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