General Information of the Compound
| Compound ID |
CP0470759
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| Compound Name |
N,N-dipropyl-8-thiophen-3-yl-3,4-dihydro-2H-chromen-3-amine
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| Structure |
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| Formula |
C19H25NOS
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| Molecular Weight |
315.482
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| Canonical SMILES |
CCCN(CCC)C1COc2c(C1)cccc2-c1ccsc1
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| InChI |
InChI=1S/C19H25NOS/c1-3-9-20(10-4-2)17-12-15-6-5-7-18(19(15)21-13-17)16-8-11-22-14-16/h5-8,11,14,17H,3-4,9-10,12-13H2,1-2H3
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| InChIKey |
VKTALASDYHQYCC-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