General Information of the Compound
| Compound ID |
CP0951322
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| Compound Name |
2-(3-Fluoro-pyridin-4-yl)-N'7-(5-methyl-isoxazol-3-yl)-N'4-(R)-pyrrolidin-3-yl-thieno[3,2-d]pyrimidine-4,7-diamine
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| Structure |
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| Formula |
C19H18FN7OS
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| Molecular Weight |
411.466
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| Canonical SMILES |
Cc1cc(Nc2csc3c(N[C@@H]4CCNC4)nc(-c4ccncc4F)nc23)no1
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| InChI |
InChI=1S/C19H18FN7OS/c1-10-6-15(27-28-10)24-14-9-29-17-16(14)25-18(12-3-5-22-8-13(12)20)26-19(17)23-11-2-4-21-7-11/h3,5-6,8-9,11,21H,2,4,7H2,1H3,(H,24,27)(H,23,25,26)/t11-/m1/s1
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| InChIKey |
WMIZCAIHGHOHNE-LLVKDONJSA-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