General Information of the Compound
| Compound ID |
CP0952710
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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]-3,4-dimethyl-pent-1-yn-3-ol
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| Structure |
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| Formula |
C27H29N5OS
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| Molecular Weight |
471.63
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| Canonical SMILES |
CC(C)[C@](C)(O)C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
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| InChI |
InChI=1S/C27H29N5OS/c1-18(2)27(3,33)12-9-21-17-34-24-23(21)31-25(20-10-13-29-14-11-20)32-26(24)30-16-22(28)15-19-7-5-4-6-8-19/h4-8,10-11,13-14,17-18,22,33H,15-16,28H2,1-3H3,(H,30,31,32)/t22-,27+/m0/s1
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| InChIKey |
RKDUKSPHEGTJNS-WXVAWEFUSA-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