General Information of the Compound
| Compound ID |
CP0914943
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| Compound Name |
(R)-Pyrrolidin-3-yl-{2-[2-(tetrahydro-pyran-4-ylamino)-pyridin-4-yl]-thieno[3,2-d]pyrimidin-4-yl}-amine
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| Structure |
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| Formula |
C20H24N6OS
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| Molecular Weight |
396.52
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| Canonical SMILES |
c1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)cc(NC2CCOCC2)n1
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| InChI |
InChI=1S/C20H24N6OS/c1-7-22-17(23-14-3-8-27-9-4-14)11-13(1)19-25-16-5-10-28-18(16)20(26-19)24-15-2-6-21-12-15/h1,5,7,10-11,14-15,21H,2-4,6,8-9,12H2,(H,22,23)(H,24,25,26)/t15-/m1/s1
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| InChIKey |
ZSBFTMPYIYVIIL-OAHLLOKOSA-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