General Information of the Compound
| Compound ID |
CP0452840
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| Compound Name |
3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1-propanamine
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| Structure |
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| Formula |
C24H26FNO2
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| Molecular Weight |
379.475
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| Canonical SMILES |
COc1ccc(CNCCC(c2ccc(F)cc2)c2ccc(OC)cc2)cc1
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| InChI |
InChI=1S/C24H26FNO2/c1-27-22-11-3-18(4-12-22)17-26-16-15-24(19-5-9-21(25)10-6-19)20-7-13-23(28-2)14-8-20/h3-14,24,26H,15-17H2,1-2H3
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| InChIKey |
VKNDOFXTCCPRML-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor