General Information of the Compound
| Compound ID |
CP0440856
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| Compound Name |
5-(4,6-dimethylpyridin-2-yloxy)-3,6-diethyl-N-((1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl)pyrazin-2-amine
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| Structure |
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| Formula |
C27H34N4O2
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| Molecular Weight |
446.595
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| Canonical SMILES |
CCCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(C)cc(C)n2)nc1CC
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| InChI |
InChI=1S/C27H34N4O2/c1-6-13-32-23-16-19-11-9-10-12-20(19)25(23)31-26-21(7-2)30-27(22(8-3)29-26)33-24-15-17(4)14-18(5)28-24/h9-12,14-15,23,25H,6-8,13,16H2,1-5H3,(H,29,31)/t23-,25+/m0/s1
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| InChIKey |
VVEXSQRBCQXPAV-UKILVPOCSA-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