General Information of the Compound
| Compound ID |
CP0896794
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| Compound Name |
2-Methyl-4-[7-methyl-2-pyridin-4-yl-4-((R)-pyrrolidin-3-ylamino)-thieno[3,2-d]pyrimidin-6-yl]-but-3-yn-2-ol
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| Structure |
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| Formula |
C21H23N5OS
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| Molecular Weight |
393.516
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| Canonical SMILES |
Cc1c(C#CC(C)(C)O)sc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc12
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| InChI |
InChI=1S/C21H23N5OS/c1-13-16(4-8-21(2,3)27)28-18-17(13)25-19(14-5-9-22-10-6-14)26-20(18)24-15-7-11-23-12-15/h5-6,9-10,15,23,27H,7,11-12H2,1-3H3,(H,24,25,26)/t15-/m1/s1
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| InChIKey |
SDKYUONYIOTNFG-OAHLLOKOSA-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