General Information of the Compound
| Compound ID |
CP0379462
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| Compound Name |
1-[bis(4-fluorophenyl)methoxy]-3-[(2,3-dimethylcyclohexyl)amino]-2-propanol
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| Structure |
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| Formula |
C24H31F2NO2
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| Molecular Weight |
403.513
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| Canonical SMILES |
CC1CCCC(NCC(O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1C
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| InChI |
InChI=1S/C24H31F2NO2/c1-16-4-3-5-23(17(16)2)27-14-22(28)15-29-24(18-6-10-20(25)11-7-18)19-8-12-21(26)13-9-19/h6-13,16-17,22-24,27-28H,3-5,14-15H2,1-2H3
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| InChIKey |
ZRHSCMXFOILLCB-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor