General Information of the Compound
| Compound ID |
CP0524280
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| Compound Name |
6-(2-chlorophenyl)-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 |
C26H33ClN2O
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| Molecular Weight |
425.016
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| Canonical SMILES |
Clc1ccccc1C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12
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| InChI |
InChI=1S/C26H33ClN2O/c27-25-9-3-2-8-22(25)24-19-29-16-6-10-26(29)23-18-20(11-12-21(23)24)30-17-7-15-28-13-4-1-5-14-28/h2-3,8-9,11-12,18,24,26H,1,4-7,10,13-17,19H2
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| InChIKey |
RUXYPQKVSNTODL-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