General Information of the Compound
| Compound ID |
CP0952762
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| Compound Name |
2-Methyl-4-[2-pyridin-4-yl-4-((R)-pyrrolidin-3-ylamino)-thieno[3,2-d]pyrimidin-7-yl]-but-3-yn-2-ol
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| Structure |
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| Formula |
C20H21N5OS
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| Molecular Weight |
379.489
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| Canonical SMILES |
CC(C)(O)C#Cc1csc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc12
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| InChI |
InChI=1S/C20H21N5OS/c1-20(2,26)7-3-14-12-27-17-16(14)24-18(13-4-8-21-9-5-13)25-19(17)23-15-6-10-22-11-15/h4-5,8-9,12,15,22,26H,6,10-11H2,1-2H3,(H,23,24,25)/t15-/m1/s1
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| InChIKey |
UKWPGBCZUJGNGS-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