General Information of the Compound
| Compound ID |
CP0954723
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| Compound Name |
(S)-N'1-[7-(2-Fluoro-phenylethynyl)-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 |
C28H22FN5S
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| Molecular Weight |
479.584
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2)nc2c(C#Cc3ccccc3F)csc12)Cc1ccccc1
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| InChI |
InChI=1S/C28H22FN5S/c29-24-9-5-4-8-20(24)10-11-22-18-35-26-25(22)33-27(21-12-14-31-15-13-21)34-28(26)32-17-23(30)16-19-6-2-1-3-7-19/h1-9,12-15,18,23H,16-17,30H2,(H,32,33,34)/t23-/m0/s1
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| InChIKey |
ZQPVEZPXRZCGPE-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