General Information of the Compound
| Compound ID |
CP0490596
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| Compound Name |
(1R,2S)-1-(3,6-diethyl-5-(4-methylpyridin-2-yloxy)pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-yl acetate
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| Structure |
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| Formula |
C25H28N4O3
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| Molecular Weight |
432.524
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| Canonical SMILES |
CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@H]1[C@H](Cc2ccccc12)OC(C)=O
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| InChI |
InChI=1S/C25H28N4O3/c1-5-19-24(27-20(6-2)25(28-19)32-22-13-15(3)11-12-26-22)29-23-18-10-8-7-9-17(18)14-21(23)31-16(4)30/h7-13,21,23H,5-6,14H2,1-4H3,(H,27,29)/t21-,23+/m0/s1
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| InChIKey |
HRDRFPBINRORRQ-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