General Information of the Compound
| Compound ID |
CP0528214
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| Compound Name |
3,6-diethyl-N-((1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl)-N-methyl-5-(4-methylpyridin-2-yloxy)pyrazin-2-amine
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| Structure |
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| Formula |
C25H30N4O2
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| Molecular Weight |
418.541
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| Canonical SMILES |
CCc1nc(N(C)[C@H]2[C@H](Cc3ccccc23)OC)c(CC)nc1Oc1cc(C)ccn1
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| InChI |
InChI=1S/C25H30N4O2/c1-6-19-24(29(4)23-18-11-9-8-10-17(18)15-21(23)30-5)27-20(7-2)25(28-19)31-22-14-16(3)12-13-26-22/h8-14,21,23H,6-7,15H2,1-5H3/t21-,23+/m0/s1
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| InChIKey |
IOXFDQSXOBRTCR-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