General Information of the Compound
| Compound ID |
CP0012968
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| Compound Name |
4,5,5-trimethyl-2-(6-methylpyridin-2-yl)-3-pyridin-4-yl-4,6-dihydropyrrolo[1,2-b]pyrazole
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| Structure |
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| Formula |
C20H22N4
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| Molecular Weight |
318.424
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| Canonical SMILES |
CC1c2c(c(nn2CC1(C)C)-c1cccc(C)n1)-c1ccncc1
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| InChI |
InChI=1S/C20H22N4/c1-13-6-5-7-16(22-13)18-17(15-8-10-21-11-9-15)19-14(2)20(3,4)12-24(19)23-18/h5-11,14H,12H2,1-4H3
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| InChIKey |
IBLNAEBUPYPUGD-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