General Information of the Compound
| Compound ID |
CP0535356
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| Compound Name |
6-(2-methoxyphenyl)-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 |
C27H36N2O2
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| Molecular Weight |
420.597
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| Canonical SMILES |
COc1ccccc1C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12
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| InChI |
InChI=1S/C27H36N2O2/c1-30-27-11-4-3-9-23(27)25-20-29-17-7-10-26(29)24-19-21(12-13-22(24)25)31-18-8-16-28-14-5-2-6-15-28/h3-4,9,11-13,19,25-26H,2,5-8,10,14-18,20H2,1H3
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| InChIKey |
KGXVLSBKFYJYCG-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