General Information of the Compound
| Compound ID |
CP0501734
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| Compound Name |
(5,6-Dimethoxy-indan-2-yl)-propyl-(2-thiophen-2-yl-ethyl)-amine
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| Structure |
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| Formula |
C20H27NO2S
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| Molecular Weight |
345.508
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| Canonical SMILES |
CCCN(CCc1cccs1)C1Cc2cc(OC)c(OC)cc2C1
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| InChI |
InChI=1S/C20H27NO2S/c1-4-8-21(9-7-18-6-5-10-24-18)17-11-15-13-19(22-2)20(23-3)14-16(15)12-17/h5-6,10,13-14,17H,4,7-9,11-12H2,1-3H3
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| InChIKey |
ZWNDDIIOXZXGCK-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