General Information of the Compound
| Compound ID |
CP0004254
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| Compound Name |
4-[[4-[2-(6-ethylpyridin-2-yl)-4,5,5-trimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide
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| Structure |
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| Formula |
C27H30N6O2S
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| Molecular Weight |
502.644
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| Canonical SMILES |
CCc1cccc(n1)-c1nn2CC(C)(C)C(C)c2c1-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)c1
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| InChI |
InChI=1S/C27H30N6O2S/c1-5-19-7-6-8-22(30-19)25-24(26-17(2)27(3,4)16-33(26)32-25)18-13-14-29-23(15-18)31-20-9-11-21(12-10-20)36(28,34)35/h6-15,17H,5,16H2,1-4H3,(H,29,31)(H2,28,34,35)
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| InChIKey |
NDGLLPOCZPDBBY-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