General Information of the Compound
| Compound ID |
CP0886303
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| Compound Name |
2a-[5-(3,4-Dihydro-1H-isoquinolin-2-yl)-pentyl]-2a,3,4,5-tetrahydro-1H-benzo[cd]indol-2-one
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| Structure |
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| Formula |
C25H30N2O
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| Molecular Weight |
374.528
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| Canonical SMILES |
O=C1Nc2cccc3c2C1(CCCCCN1CCc2ccccc2C1)CCC3
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| InChI |
InChI=1S/C25H30N2O/c28-24-25(15-7-11-20-10-6-12-22(26-24)23(20)25)14-4-1-5-16-27-17-13-19-8-2-3-9-21(19)18-27/h2-3,6,8-10,12H,1,4-5,7,11,13-18H2,(H,26,28)
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| InChIKey |
UECFQSURZLIICR-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