General Information of the Compound
| Compound ID |
CP0951324
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| Compound Name |
3-[4-((S)-2-Amino-3-phenyl-propylamino)-2-(3-fluoro-pyridin-4-yl)-thieno[3,2-d]pyrimidin-7-yl]-prop-2-yn-1-ol
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| Structure |
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| Formula |
C23H20FN5OS
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| Molecular Weight |
433.512
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2F)nc2c(C#CCO)csc12)Cc1ccccc1
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| InChI |
InChI=1S/C23H20FN5OS/c24-19-13-26-9-8-18(19)22-28-20-16(7-4-10-30)14-31-21(20)23(29-22)27-12-17(25)11-15-5-2-1-3-6-15/h1-3,5-6,8-9,13-14,17,30H,10-12,25H2,(H,27,28,29)/t17-/m0/s1
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| InChIKey |
HJOKKEMYISOXJV-KRWDZBQOSA-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