General Information of the Compound
| Compound ID |
CP0947491
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| Compound Name |
[2-(5-Fluoro-2-phenylamino-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 |
C21H19FN6S
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| Molecular Weight |
406.49
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| Canonical SMILES |
Fc1cnc(Nc2ccccc2)cc1-c1nc(N[C@@H]2CCNC2)c2sccc2n1
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| InChI |
InChI=1S/C21H19FN6S/c22-16-12-24-18(25-13-4-2-1-3-5-13)10-15(16)20-27-17-7-9-29-19(17)21(28-20)26-14-6-8-23-11-14/h1-5,7,9-10,12,14,23H,6,8,11H2,(H,24,25)(H,26,27,28)/t14-/m1/s1
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| InChIKey |
NPGRXWQKQVNAHS-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