General Information of the Compound
| Compound ID |
CP0689612
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| Compound Name |
(E)-N-(Coumaran-5-methyl)-N-methyl-3-(4-difluoromethylphenyl)prop-2-en-1-amine Hydrochloride
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| Structure |
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| Formula |
C20H22ClF2NO
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| Molecular Weight |
365.851
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| Canonical SMILES |
CN(C/C=C/c1ccc(C(F)F)cc1)Cc1ccc2c(c1)CCO2.Cl
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| InChI |
InChI=1S/C20H21F2NO.ClH/c1-23(14-16-6-9-19-18(13-16)10-12-24-19)11-2-3-15-4-7-17(8-5-15)20(21)22;/h2-9,13,20H,10-12,14H2,1H3;1H/b3-2+;
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| InChIKey |
OLWGHZZXRZAHAQ-SQQVDAMQSA-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