General Information of the Compound
| Compound ID |
CP0463857
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| Compound Name |
2-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,2,5-thiadiazolidine 1,1-dioxide
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| Structure |
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| Formula |
C21H24N6O3S
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| Molecular Weight |
440.529
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| Canonical SMILES |
COc1ccc(N2CCc3c2nc(C)cc3-n2ccc(n2)N2CCNS2(=O)=O)c(C)c1
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| InChI |
InChI=1S/C21H24N6O3S/c1-14-12-16(30-3)4-5-18(14)25-9-6-17-19(13-15(2)23-21(17)25)26-10-7-20(24-26)27-11-8-22-31(27,28)29/h4-5,7,10,12-13,22H,6,8-9,11H2,1-3H3
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| InChIKey |
JTUKIQHISYGDML-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