General Information of the Compound
| Compound ID |
CP0951919
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| Compound Name |
3-{4-[4-((R)-Pyrrolidin-3-ylamino)-thieno[3,2-d]pyrimidin-2-yl]-pyridin-2-ylamino}-benzonitrile
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| Structure |
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| Formula |
C22H19N7S
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| Molecular Weight |
413.51
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| Canonical SMILES |
N#Cc1cccc(Nc2cc(-c3nc(N[C@@H]4CCNC4)c4sccc4n3)ccn2)c1
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| InChI |
InChI=1S/C22H19N7S/c23-12-14-2-1-3-16(10-14)26-19-11-15(4-8-25-19)21-28-18-6-9-30-20(18)22(29-21)27-17-5-7-24-13-17/h1-4,6,8-11,17,24H,5,7,13H2,(H,25,26)(H,27,28,29)/t17-/m1/s1
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| InChIKey |
BSDQTBOIQVZETJ-QGZVFWFLSA-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