General Information of the Compound
| Compound ID |
CP0967305
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| Compound Name |
5-[4-((S)-2-Amino-3-phenyl-propylamino)-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-7-yl]-pent-4-yn-1-ol
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| Structure |
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| Formula |
C25H25N5OS
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| Molecular Weight |
443.576
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2)nc2c(C#CCCCO)csc12)Cc1ccccc1
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| InChI |
InChI=1S/C25H25N5OS/c26-21(15-18-7-3-1-4-8-18)16-28-25-23-22(20(17-32-23)9-5-2-6-14-31)29-24(30-25)19-10-12-27-13-11-19/h1,3-4,7-8,10-13,17,21,31H,2,6,14-16,26H2,(H,28,29,30)/t21-/m0/s1
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| InChIKey |
NTFBINFZTSDGIS-NRFANRHFSA-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