General Information of the Compound
| Compound ID |
CP0951785
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| Compound Name |
(R)-Pyrrolidin-3-yl-{2-[2-(4-thiophen-3-yl-phenylamino)-pyridin-4-yl]-thieno[3,2-d]pyrimidin-4-yl}-amine
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| Structure |
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| Formula |
C25H22N6S2
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| Molecular Weight |
470.627
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| Canonical SMILES |
c1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)cc(Nc2ccc(-c3ccsc3)cc2)n1
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| InChI |
InChI=1S/C25H22N6S2/c1-3-19(4-2-16(1)18-7-11-32-15-18)28-22-13-17(5-10-27-22)24-30-21-8-12-33-23(21)25(31-24)29-20-6-9-26-14-20/h1-5,7-8,10-13,15,20,26H,6,9,14H2,(H,27,28)(H,29,30,31)/t20-/m1/s1
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| InChIKey |
AIBQMLRZIXGSKN-HXUWFJFHSA-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