General Information of the Compound
| Compound ID |
CP0454376
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| Compound Name |
3,6-diethyl-5-(4-methylpyridin-2-yloxy)-N-((1R,2S)-2-(tetrahydro-2H-pyran-4-yloxy)-2,3-dihydro-1H-inden-1-yl)pyrazin-2-amine
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| Structure |
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| Formula |
C28H34N4O3
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| Molecular Weight |
474.605
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| Canonical SMILES |
CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OC1CCOCC1
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| InChI |
InChI=1S/C28H34N4O3/c1-4-22-27(30-23(5-2)28(31-22)35-25-16-18(3)10-13-29-25)32-26-21-9-7-6-8-19(21)17-24(26)34-20-11-14-33-15-12-20/h6-10,13,16,20,24,26H,4-5,11-12,14-15,17H2,1-3H3,(H,30,32)/t24-,26+/m0/s1
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| InChIKey |
XGGKUCGJWXDILN-AZGAKELHSA-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