General Information of the Compound
| Compound ID |
CP0848500
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| Compound Name |
(S)-N'1-{7-[(tert-Butyl-dimethyl-silanyl)-ethynyl]-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 |
C28H33N5SSi
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| Molecular Weight |
499.76
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| Canonical SMILES |
CC(C)(C)[Si](C)(C)C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
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| InChI |
InChI=1S/C28H33N5SSi/c1-28(2,3)35(4,5)16-13-22-19-34-25-24(22)32-26(21-11-14-30-15-12-21)33-27(25)31-18-23(29)17-20-9-7-6-8-10-20/h6-12,14-15,19,23H,17-18,29H2,1-5H3,(H,31,32,33)/t23-/m0/s1
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| InChIKey |
FIRGWALHJUBGTG-QHCPKHFHSA-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