General Information of the Compound
| Compound ID |
CP0850684
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| Compound Name |
(S)-1-[4-((S)-2-Amino-3-phenyl-propylamino)-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-7-yl]-hex-1-yn-3-ol
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| Structure |
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| Formula |
C26H27N5OS
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| Molecular Weight |
457.603
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| Canonical SMILES |
CCC[C@H](O)C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
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| InChI |
InChI=1S/C26H27N5OS/c1-2-6-22(32)10-9-20-17-33-24-23(20)30-25(19-11-13-28-14-12-19)31-26(24)29-16-21(27)15-18-7-4-3-5-8-18/h3-5,7-8,11-14,17,21-22,32H,2,6,15-16,27H2,1H3,(H,29,30,31)/t21-,22-/m0/s1
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| InChIKey |
XZWRNLDYRBWZNY-VXKWHMMOSA-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