General Information of the Compound
| Compound ID |
CP0950886
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| Compound Name |
[7-Bromo-2-(3-fluoro-pyridin-4-yl)-thieno[3,2-d]pyrimidin-4-yl]-(R)-pyrrolidin-3-yl-amine
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| Structure |
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| Formula |
C15H13BrFN5S
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| Molecular Weight |
394.273
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| Canonical SMILES |
Fc1cnccc1-c1nc(N[C@@H]2CCNC2)c2scc(Br)c2n1
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| InChI |
InChI=1S/C15H13BrFN5S/c16-10-7-23-13-12(10)21-14(9-2-4-19-6-11(9)17)22-15(13)20-8-1-3-18-5-8/h2,4,6-8,18H,1,3,5H2,(H,20,21,22)/t8-/m1/s1
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| InChIKey |
NDYBHIPJGSAQFC-MRVPVSSYSA-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