General Information of the Compound
| Compound ID |
CP0535690
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| Compound Name |
1-[4-(3-Dipropylamino-chroman-8-carbonyl)-phenyl]-ethanone
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| Structure |
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| Formula |
C24H29NO3
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| Molecular Weight |
379.5
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| Canonical SMILES |
CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccc(cc1)C(C)=O
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| InChI |
InChI=1S/C24H29NO3/c1-4-13-25(14-5-2)21-15-20-7-6-8-22(24(20)28-16-21)23(27)19-11-9-18(10-12-19)17(3)26/h6-12,21H,4-5,13-16H2,1-3H3
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| InChIKey |
GDCQIEHJIRJTNW-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