General Information of the Compound
| Compound ID |
CP0904441
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| Compound Name |
2-(3-Fluoro-pyridin-4-yl)-N'7-pyridin-2-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 |
C20H18FN7S
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| Molecular Weight |
407.478
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| Canonical SMILES |
Fc1cnccc1-c1nc(N[C@@H]2CCNC2)c2scc(Nc3ccccn3)c2n1
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| InChI |
InChI=1S/C20H18FN7S/c21-14-10-23-8-5-13(14)19-27-17-15(26-16-3-1-2-6-24-16)11-29-18(17)20(28-19)25-12-4-7-22-9-12/h1-3,5-6,8,10-12,22H,4,7,9H2,(H,24,26)(H,25,27,28)/t12-/m1/s1
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| InChIKey |
XZLMCCYJBHTARH-GFCCVEGCSA-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