General Information of the Compound
| Compound ID |
CP0954839
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| Compound Name |
{2-[2-(Cyclopropylmethyl-amino)-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 |
C19H22N6S
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| Molecular Weight |
366.494
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| Canonical SMILES |
c1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)cc(NCC2CC2)n1
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| InChI |
InChI=1S/C19H22N6S/c1-2-12(1)10-22-16-9-13(3-7-21-16)18-24-15-5-8-26-17(15)19(25-18)23-14-4-6-20-11-14/h3,5,7-9,12,14,20H,1-2,4,6,10-11H2,(H,21,22)(H,23,24,25)/t14-/m1/s1
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| InChIKey |
POGUXISUINUINS-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