General Information of the Compound
| Compound ID |
CP0967909
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| Compound Name |
{2-[5-Fluoro-2-(pyrazin-2-ylamino)-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 |
C19H17FN8S
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| Molecular Weight |
408.466
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| Canonical SMILES |
Fc1cnc(Nc2cnccn2)cc1-c1nc(N[C@@H]2CCNC2)c2sccc2n1
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| InChI |
InChI=1S/C19H17FN8S/c20-13-9-24-15(27-16-10-22-4-5-23-16)7-12(13)18-26-14-2-6-29-17(14)19(28-18)25-11-1-3-21-8-11/h2,4-7,9-11,21H,1,3,8H2,(H,23,24,27)(H,25,26,28)/t11-/m1/s1
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| InChIKey |
OJCGFBPCCDBDLN-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