General Information of the Compound
| Compound ID |
CP0535438
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| Compound Name |
2-((1R,2S)-1-(3,6-diethyl-5-(4-methylpyridin-2-yloxy)pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-yloxy)ethanol
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| Structure |
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| Formula |
C25H30N4O3
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| Molecular Weight |
434.54
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| Canonical SMILES |
CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OCCO
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| InChI |
InChI=1S/C25H30N4O3/c1-4-19-24(27-20(5-2)25(28-19)32-22-14-16(3)10-11-26-22)29-23-18-9-7-6-8-17(18)15-21(23)31-13-12-30/h6-11,14,21,23,30H,4-5,12-13,15H2,1-3H3,(H,27,29)/t21-,23+/m0/s1
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| InChIKey |
GCBNYKFTHPFEKE-JTHBVZDNSA-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