General Information of the Compound
| Compound ID |
CP0054533
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| Compound Name |
2-[[(3R)-3-acetamido-2,3-dihydro-1H-inden-5-yl]oxy]-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
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| Structure |
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| Formula |
C25H25N7O4
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| Molecular Weight |
487.52
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| Canonical SMILES |
C[C@@H](NC(=O)c1c[nH]c2ncc(Oc3ccc4CC[C@@H](NC(C)=O)c4c3)nc12)C(=O)N1CC(C1)C#N
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| InChI |
InChI=1S/C25H25N7O4/c1-13(25(35)32-11-15(8-26)12-32)29-24(34)19-9-27-23-22(19)31-21(10-28-23)36-17-5-3-16-4-6-20(18(16)7-17)30-14(2)33/h3,5,7,9-10,13,15,20H,4,6,11-12H2,1-2H3,(H,27,28)(H,29,34)(H,30,33)/t13-,20-/m1/s1
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| InChIKey |
CIOIMVILPNRXTM-ZUOKHONESA-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