General Information of the Compound
| Compound ID |
CP0952716
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| Compound Name |
{2-[2-(4-Piperidin-1-yl-phenylamino)-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 |
C26H29N7S
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| Molecular Weight |
471.634
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| Canonical SMILES |
c1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)cc(Nc2ccc(N3CCCCC3)cc2)n1
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| InChI |
InChI=1S/C26H29N7S/c1-2-13-33(14-3-1)21-6-4-19(5-7-21)29-23-16-18(8-12-28-23)25-31-22-10-15-34-24(22)26(32-25)30-20-9-11-27-17-20/h4-8,10,12,15-16,20,27H,1-3,9,11,13-14,17H2,(H,28,29)(H,30,31,32)/t20-/m1/s1
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| InChIKey |
ZZLVEWOLLXSEDR-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