General Information of the Compound
| Compound ID |
CP0850681
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| Compound Name |
(S)-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 |
C19H19N5OS
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| Molecular Weight |
365.462
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| Canonical SMILES |
C[C@H](O)C#Cc1csc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc12
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| InChI |
InChI=1S/C19H19N5OS/c1-12(25)2-3-14-11-26-17-16(14)23-18(13-4-7-20-8-5-13)24-19(17)22-15-6-9-21-10-15/h4-5,7-8,11-12,15,21,25H,6,9-10H2,1H3,(H,22,23,24)/t12-,15+/m0/s1
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| InChIKey |
CJVIPFJUYFTARP-SWLSCSKDSA-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