General Information of the Compound
| Compound ID |
CP0001792
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| Compound Name |
3-(2-chloropyridin-4-yl)-5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazole
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| Structure |
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| Formula |
C19H19ClN4
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| Molecular Weight |
338.842
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| Canonical SMILES |
Cc1cccc(n1)-c1nn2CC(C)(C)Cc2c1-c1ccnc(Cl)c1
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| InChI |
InChI=1S/C19H19ClN4/c1-12-5-4-6-14(22-12)18-17(13-7-8-21-16(20)9-13)15-10-19(2,3)11-24(15)23-18/h4-9H,10-11H2,1-3H3
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| InChIKey |
QGNOXRHXQGWEDA-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