General Information of the Compound
| Compound ID |
CP0850680
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| Compound Name |
N'7-(3-Fluoro-phenyl)-2-(3-fluoro-pyridin-4-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 |
C21H18F2N6S
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| Molecular Weight |
424.48
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| Canonical SMILES |
Fc1cccc(Nc2csc3c(N[C@@H]4CCNC4)nc(-c4ccncc4F)nc23)c1
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| InChI |
InChI=1S/C21H18F2N6S/c22-12-2-1-3-13(8-12)26-17-11-30-19-18(17)28-20(15-5-7-25-10-16(15)23)29-21(19)27-14-4-6-24-9-14/h1-3,5,7-8,10-11,14,24,26H,4,6,9H2,(H,27,28,29)/t14-/m1/s1
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| InChIKey |
BARZNYSJNJPOJK-CQSZACIVSA-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