General Information of the Compound
| Compound ID |
CP0932417
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| Compound Name |
2a-[3-(3,4-Dihydro-1H-isoquinolin-2-yl)-propyl]-2a,3,4,5-tetrahydro-1H-benzo[cd]indol-2-one
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| Structure |
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| Formula |
C23H26N2O
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| Molecular Weight |
346.474
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| Canonical SMILES |
O=C1Nc2cccc3c2C1(CCCN1CCc2ccccc2C1)CCC3
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| InChI |
InChI=1S/C23H26N2O/c26-22-23(12-4-9-18-8-3-10-20(24-22)21(18)23)13-5-14-25-15-11-17-6-1-2-7-19(17)16-25/h1-3,6-8,10H,4-5,9,11-16H2,(H,24,26)
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| InChIKey |
QEGJKPGHYKWFRG-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