General Information of the Compound
| Compound ID |
CP0954694
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| Compound Name |
2-{(R)-3-[2-(2-Phenylamino-pyridin-4-yl)-thieno[3,2-d]pyrimidin-4-ylamino]-pyrrolidin-1-yl}-acetamide
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| Structure |
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| Formula |
C23H23N7OS
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| Molecular Weight |
445.552
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| Canonical SMILES |
NC(=O)CN1CC[C@@H](Nc2nc(-c3ccnc(Nc4ccccc4)c3)nc3ccsc23)C1
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| InChI |
InChI=1S/C23H23N7OS/c24-19(31)14-30-10-7-17(13-30)27-23-21-18(8-11-32-21)28-22(29-23)15-6-9-25-20(12-15)26-16-4-2-1-3-5-16/h1-6,8-9,11-12,17H,7,10,13-14H2,(H2,24,31)(H,25,26)(H,27,28,29)/t17-/m1/s1
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| InChIKey |
JRBWEOQURXGOGJ-QGZVFWFLSA-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