General Information of the Compound
| Compound ID |
CP0954722
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| Compound Name |
(S)-N'1-[7-(3-Methoxy-3-methyl-but-1-ynyl)-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-4-yl]-3-phenyl-propane-1,2-diamine
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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 |
COC(C)(C)C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
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| InChI |
InChI=1S/C26H27N5OS/c1-26(2,32-3)12-9-20-17-33-23-22(20)30-24(19-10-13-28-14-11-19)31-25(23)29-16-21(27)15-18-7-5-4-6-8-18/h4-8,10-11,13-14,17,21H,15-16,27H2,1-3H3,(H,29,30,31)/t21-/m0/s1
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| InChIKey |
KXCHKVAWHSRSSX-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