General Information of the Compound
| Compound ID |
CP0954169
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| Compound Name |
1-[4-((S)-2-Amino-3-phenyl-propylamino)-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-7-ylethynyl]-cyclopentanol
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| Structure |
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| Formula |
C27H27N5OS
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| Molecular Weight |
469.614
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2)nc2c(C#CC3(O)CCCC3)csc12)Cc1ccccc1
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| InChI |
InChI=1S/C27H27N5OS/c28-22(16-19-6-2-1-3-7-19)17-30-26-24-23(31-25(32-26)20-9-14-29-15-10-20)21(18-34-24)8-13-27(33)11-4-5-12-27/h1-3,6-7,9-10,14-15,18,22,33H,4-5,11-12,16-17,28H2,(H,30,31,32)/t22-/m0/s1
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| InChIKey |
HCDNCWYAAFCCLK-QFIPXVFZSA-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