General Information of the Compound
| Compound ID |
CP0376042
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| Compound Name |
1-(2-methylphenoxy)-3-[[4-[[3-(2-methylphenoxy)-2-oxidanyl-propyl]amino]cyclohexyl]amino]propan-2-ol
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| Structure |
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| Formula |
C26H38N2O4
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| Molecular Weight |
442.6
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| Canonical SMILES |
Cc1ccccc1OCC(O)CNC1CCC(CC1)NCC(O)COc1ccccc1C
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| InChI |
InChI=1S/C26H38N2O4/c1-19-7-3-5-9-25(19)31-17-23(29)15-27-21-11-13-22(14-12-21)28-16-24(30)18-32-26-10-6-4-8-20(26)2/h3-10,21-24,27-30H,11-18H2,1-2H3
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| InChIKey |
ADCIBYAOLKOWOK-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: PT06172, Mothers against decapentaplegic homolog 3