General Information of the Compound
| Compound ID |
CP0896793
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| Compound Name |
N'4-((S)-2-Amino-3-phenyl-propyl)-2-(3-fluoro-pyridin-4-yl)-N'7-phenyl-thieno[3,2-d]pyrimidine-4,7-diamine
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| Structure |
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| Formula |
C26H23FN6S
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| Molecular Weight |
470.577
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2F)nc2c(Nc3ccccc3)csc12)Cc1ccccc1
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| InChI |
InChI=1S/C26H23FN6S/c27-21-15-29-12-11-20(21)25-32-23-22(31-19-9-5-2-6-10-19)16-34-24(23)26(33-25)30-14-18(28)13-17-7-3-1-4-8-17/h1-12,15-16,18,31H,13-14,28H2,(H,30,32,33)/t18-/m0/s1
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| InChIKey |
UJDJCHLHXBCJCC-SFHVURJKSA-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