General Information of the Compound
| Compound ID |
CP0451103
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| Compound Name |
N,N-dipropyl-8-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-3-amine
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| Structure |
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| Formula |
C22H26F3NO
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| Molecular Weight |
377.45
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| Canonical SMILES |
CCCN(CCC)C1COc2c(C1)cccc2-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C22H26F3NO/c1-3-12-26(13-4-2)19-14-17-6-5-7-20(21(17)27-15-19)16-8-10-18(11-9-16)22(23,24)25/h5-11,19H,3-4,12-15H2,1-2H3
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| InChIKey |
OSFSWZUCOBPVDJ-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