General Information of the Compound
| Compound ID |
CP0035412
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| Compound Name |
2a-[4-(4-phenylpiperazin-1-yl)butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
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| Structure |
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| Formula |
C25H31N3O
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| Molecular Weight |
389.543
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| Canonical SMILES |
O=C1Nc2cccc3CCCC1(CCCCN1CCN(CC1)c1ccccc1)c23
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| InChI |
InChI=1S/C25H31N3O/c29-24-25(14-7-9-20-8-6-12-22(26-24)23(20)25)13-4-5-15-27-16-18-28(19-17-27)21-10-2-1-3-11-21/h1-3,6,8,10-12H,4-5,7,9,13-19H2,(H,26,29)
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| InChIKey |
OSNLZQMWBCDMGV-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