General Information of the Compound
| Compound ID |
CP0920335
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| Compound Name |
2a-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-butyl]-2a,3,4,5-tetrahydro-1H-benzo[cd]indol-2-one
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| Structure |
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| Formula |
C24H28N2O
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| Molecular Weight |
360.501
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| Canonical SMILES |
O=C1Nc2cccc3c2C1(CCCCN1CCc2ccccc2C1)CCC3
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| InChI |
InChI=1S/C24H28N2O/c27-23-24(14-6-10-19-9-5-11-21(25-23)22(19)24)13-3-4-15-26-16-12-18-7-1-2-8-20(18)17-26/h1-2,5,7-9,11H,3-4,6,10,12-17H2,(H,25,27)
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| InChIKey |
PUBJWCSGOQBHSX-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