General Information of the Compound
| Compound ID |
CP0866845
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| Compound Name |
(S)-N'1-[7-Bromo-2-(3-fluoro-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 |
C20H17BrFN5S
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| Molecular Weight |
458.36
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2F)nc2c(Br)csc12)Cc1ccccc1
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| InChI |
InChI=1S/C20H17BrFN5S/c21-15-11-28-18-17(15)26-19(14-6-7-24-10-16(14)22)27-20(18)25-9-13(23)8-12-4-2-1-3-5-12/h1-7,10-11,13H,8-9,23H2,(H,25,26,27)/t13-/m0/s1
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| InChIKey |
NNEHCRFDFZOIBV-ZDUSSCGKSA-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