General Information of the Compound
| Compound ID |
CP0943242
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| Compound Name |
3-isopropyl-1-methyl-4-(3-(thieno[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl)piperazin-2-one
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| Structure |
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| Formula |
C21H22N6OS
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| Molecular Weight |
406.515
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| Canonical SMILES |
CC(C)C1C(=O)N(C)CCN1c1ccc2[nH]nc(-c3cc4cnccc4s3)c2n1
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| InChI |
InChI=1S/C21H22N6OS/c1-12(2)20-21(28)26(3)8-9-27(20)17-5-4-14-18(23-17)19(25-24-14)16-10-13-11-22-7-6-15(13)29-16/h4-7,10-12,20H,8-9H2,1-3H3,(H,24,25)
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| InChIKey |
GFJNDOUQAJRIKK-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