General Information of the Compound
| Compound ID |
CP0542822
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| Compound Name |
(3-Dipropylamino-chroman-8-yl)-thiophen-3-yl-methanone
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| Structure |
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| Formula |
C20H25NO2S
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| Molecular Weight |
343.492
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| Canonical SMILES |
CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccsc1
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| InChI |
InChI=1S/C20H25NO2S/c1-3-9-21(10-4-2)17-12-15-6-5-7-18(20(15)23-13-17)19(22)16-8-11-24-14-16/h5-8,11,14,17H,3-4,9-10,12-13H2,1-2H3
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| InChIKey |
LUQBYFOXFQWXND-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