General Information of the Compound
| Compound ID |
CP0874199
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| Compound Name |
(S)-N'1-[7-(3,5-Dimethyl-isoxazol-4-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 |
Cc1noc(C)c1-c1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3F)nc12
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| InChI |
InChI=1S/C25H23FN6OS/c1-14-21(15(2)33-32-14)19-13-34-23-22(19)30-24(18-8-9-28-12-20(18)26)31-25(23)29-11-17(27)10-16-6-4-3-5-7-16/h3-9,12-13,17H,10-11,27H2,1-2H3,(H,29,30,31)/t17-/m0/s1
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| InChIKey |
WVVRHGWWKQOUFD-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