General Information of the Compound
| Compound ID |
CP0006106
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| Compound Name |
4-(5,5-dimethyl-2-pyridin-2-yl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)phenol
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| Structure |
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| Formula |
C19H19N3O
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| Molecular Weight |
305.381
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| Canonical SMILES |
CC1(C)Cc2c(c(nn2C1)-c1ccccn1)-c1ccc(O)cc1
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| InChI |
InChI=1S/C19H19N3O/c1-19(2)11-16-17(13-6-8-14(23)9-7-13)18(21-22(16)12-19)15-5-3-4-10-20-15/h3-10,23H,11-12H2,1-2H3
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| InChIKey |
YVWHLTKZMNJMBT-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