General Information of the Compound
| Compound ID |
CP0014127
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| Compound Name |
4-[[4-[4,5,5-trimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide
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| Structure |
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| Formula |
C26H28N6O2S
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| Molecular Weight |
488.617
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| Canonical SMILES |
CC1c2c(c(nn2CC1(C)C)-c1cccc(C)n1)-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)c1
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| InChI |
InChI=1S/C26H28N6O2S/c1-16-6-5-7-21(29-16)24-23(25-17(2)26(3,4)15-32(25)31-24)18-12-13-28-22(14-18)30-19-8-10-20(11-9-19)35(27,33)34/h5-14,17H,15H2,1-4H3,(H,28,30)(H2,27,33,34)
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| InChIKey |
XEEMOBWZJMSRMG-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