General Information of the Compound
| Compound ID |
CP0954168
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| Compound Name |
2-(3-Fluoro-pyridin-4-yl)-N'7-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 |
C18H16FN7OS
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| Molecular Weight |
397.439
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| Canonical SMILES |
Fc1cnccc1-c1nc(N[C@@H]2CCNC2)c2scc(Nc3ccon3)c2n1
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| InChI |
InChI=1S/C18H16FN7OS/c19-12-8-21-5-2-11(12)17-24-15-13(23-14-3-6-27-26-14)9-28-16(15)18(25-17)22-10-1-4-20-7-10/h2-3,5-6,8-10,20H,1,4,7H2,(H,23,26)(H,22,24,25)/t10-/m1/s1
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| InChIKey |
FKEJAGZKGNZZRS-SNVBAGLBSA-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