General Information of the Compound
| Compound ID |
CP0952753
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| Compound Name |
(S)-N'1-[7-(4-Aminomethyl-furan-2-yl)-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 |
C25H23FN6OS
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| Molecular Weight |
474.565
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| Canonical SMILES |
NCc1coc(-c2csc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4F)nc23)c1
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| InChI |
InChI=1S/C25H23FN6OS/c26-20-12-29-7-6-18(20)24-31-22-19(21-9-16(10-27)13-33-21)14-34-23(22)25(32-24)30-11-17(28)8-15-4-2-1-3-5-15/h1-7,9,12-14,17H,8,10-11,27-28H2,(H,30,31,32)/t17-/m0/s1
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| InChIKey |
KXHLBGNOLXGINN-KRWDZBQOSA-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