General Information of the Compound
| Compound ID |
CP0952140
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| Compound Name |
Thiophene-2-carboxylic acid{4-[4-((R)-1-methyl-pyrrolidin-3-ylamino)-thieno[3,2-d]pyrimidin-2-yl]-pyridin-2-yl}-amide
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| Structure |
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| Formula |
C21H20N6OS2
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| Molecular Weight |
436.566
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| Canonical SMILES |
CN1CC[C@@H](Nc2nc(-c3ccnc(NC(=O)c4cccs4)c3)nc3ccsc23)C1
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| InChI |
InChI=1S/C21H20N6OS2/c1-27-8-5-14(12-27)23-20-18-15(6-10-30-18)24-19(26-20)13-4-7-22-17(11-13)25-21(28)16-3-2-9-29-16/h2-4,6-7,9-11,14H,5,8,12H2,1H3,(H,22,25,28)(H,23,24,26)/t14-/m1/s1
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| InChIKey |
WBMQPMNJVTUYLP-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