General Information of the Compound
| Compound ID |
CP0896797
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| Compound Name |
{2-[2-((R)-1-Phenyl-ethylamino)-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 |
C23H24N6S
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| Molecular Weight |
416.554
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| Canonical SMILES |
C[C@@H](Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)c1ccccc1
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| InChI |
InChI=1S/C23H24N6S/c1-15(16-5-3-2-4-6-16)26-20-13-17(7-11-25-20)22-28-19-9-12-30-21(19)23(29-22)27-18-8-10-24-14-18/h2-7,9,11-13,15,18,24H,8,10,14H2,1H3,(H,25,26)(H,27,28,29)/t15-,18-/m1/s1
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| InChIKey |
NTHNCFONTLLTMN-CRAIPNDOSA-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