General Information of the Compound
| Compound ID |
CP0788365
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| Compound Name |
3-(4-(Piperidin-1-ylmethyl)thiazol-2-yl)-9H-pyrrolo[2,3-b:5,4-c']-dipyridine-6-carbonitrile
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| Structure |
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| Formula |
C20H18N6S
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| Molecular Weight |
374.473
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| Canonical SMILES |
N#Cc1cc2c(cn1)[nH]c1ncc(-c3nc(CN4CCCCC4)cs3)cc12
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| InChI |
InChI=1S/C20H18N6S/c21-8-14-7-16-17-6-13(9-23-19(17)25-18(16)10-22-14)20-24-15(12-27-20)11-26-4-2-1-3-5-26/h6-7,9-10,12H,1-5,11H2,(H,23,25)
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| InChIKey |
MBPIPVLDYQCJKR-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