General Information of the Compound
| Compound ID |
CP0952740
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| Compound Name |
2-[(R)-3-(2-Pyridin-4-yl-thieno[3,2-d]pyrimidin-4-ylamino)-pyrrolidin-1-yl]-acetamide
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| Structure |
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| Formula |
C17H18N6OS
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| Molecular Weight |
354.439
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| Canonical SMILES |
NC(=O)CN1CC[C@@H](Nc2nc(-c3ccncc3)nc3ccsc23)C1
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| InChI |
InChI=1S/C17H18N6OS/c18-14(24)10-23-7-3-12(9-23)20-17-15-13(4-8-25-15)21-16(22-17)11-1-5-19-6-2-11/h1-2,4-6,8,12H,3,7,9-10H2,(H2,18,24)(H,20,21,22)/t12-/m1/s1
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| InChIKey |
NTIQYKNXFHUMCK-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