General Information of the Compound
| Compound ID |
CP0866460
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| Compound Name |
(R)-Pyrrolidin-3-yl-{2-[2-(4-thiophen-2-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 |
c1csc(-c2ccc(Nc3cc(-c4nc(N[C@@H]5CCNC5)c5sccc5n4)ccn3)cc2)c1
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| InChI |
InChI=1S/C25H22N6S2/c1-2-21(32-12-1)16-3-5-18(6-4-16)28-22-14-17(7-11-27-22)24-30-20-9-13-33-23(20)25(31-24)29-19-8-10-26-15-19/h1-7,9,11-14,19,26H,8,10,15H2,(H,27,28)(H,29,30,31)/t19-/m1/s1
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| InChIKey |
FUJSLXQKMBXMNG-LJQANCHMSA-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