General Information of the Compound
| Compound ID |
CP0001935
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| Compound Name |
3-(2-chloropyridin-4-yl)-2-(6-ethylpyridin-2-yl)-4,5,5-trimethyl-4,6-dihydropyrrolo[1,2-b]pyrazole
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| Structure |
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| Formula |
C21H23ClN4
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| Molecular Weight |
366.896
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| Canonical SMILES |
CCc1cccc(n1)-c1nn2CC(C)(C)C(C)c2c1-c1ccnc(Cl)c1
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| InChI |
InChI=1S/C21H23ClN4/c1-5-15-7-6-8-16(24-15)19-18(14-9-10-23-17(22)11-14)20-13(2)21(3,4)12-26(20)25-19/h6-11,13H,5,12H2,1-4H3
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| InChIKey |
RJYLXDOMINULIC-UHFFFAOYSA-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
Protein ID: PT01221, TGF-beta receptor type-1
Protein ID: PT03338, Tyrosine-protein kinase ABL1