General Information of the Compound
| Compound ID |
CP0535357
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| Compound Name |
6-(4-nitrophenyl)-9-(3-(piperidin-1-yl)propoxy)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
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| Structure |
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| Formula |
C26H33N3O3
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| Molecular Weight |
435.568
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12
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| InChI |
InChI=1S/C26H33N3O3/c30-29(31)21-9-7-20(8-10-21)25-19-28-16-4-6-26(28)24-18-22(11-12-23(24)25)32-17-5-15-27-13-2-1-3-14-27/h7-12,18,25-26H,1-6,13-17,19H2
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| InChIKey |
IEAJIOYCAZAKHN-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