General Information of the Compound
| Compound ID |
CP0904450
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| Compound Name |
Cyclopropanesulfonic acid{4-[4-((R)-pyrrolidin-3-ylamino)-thieno[3,2-d]pyrimidin-2-yl]-pyridin-2-yl}-amide
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| Structure |
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| Formula |
C18H20N6O2S2
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| Molecular Weight |
416.532
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| Canonical SMILES |
O=S(=O)(Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)C1CC1
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| InChI |
InChI=1S/C18H20N6O2S2/c25-28(26,13-1-2-13)24-15-9-11(3-7-20-15)17-22-14-5-8-27-16(14)18(23-17)21-12-4-6-19-10-12/h3,5,7-9,12-13,19H,1-2,4,6,10H2,(H,20,24)(H,21,22,23)/t12-/m1/s1
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| InChIKey |
JBYHAFIQCAXEEH-GFCCVEGCSA-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