General Information of the Compound
| Compound ID |
CP0193536
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| Compound Name |
2-[4-[4-(2-oxo-1,3,4,5-tetrahydrobenzo[cd]indol-2a-yl)butyl]piperazin-1-yl]benzonitrile
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| Structure |
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| Formula |
C26H30N4O
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| Molecular Weight |
414.553
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| Canonical SMILES |
O=C1Nc2cccc3CCCC1(CCCCN1CCN(CC1)c1ccccc1C#N)c23
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| InChI |
InChI=1S/C26H30N4O/c27-19-21-7-1-2-11-23(21)30-17-15-29(16-18-30)14-4-3-12-26-13-6-9-20-8-5-10-22(24(20)26)28-25(26)31/h1-2,5,7-8,10-11H,3-4,6,9,12-18H2,(H,28,31)
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| InChIKey |
NSFJLLMUNOWCNL-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