General Information of the Compound
| Compound ID |
CP0850679
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| Compound Name |
N'4-((S)-2-Amino-3-phenyl-propyl)-N'7-isoxazol-3-yl-2-pyridin-4-yl-thieno[3,2-d]pyrimidine-4,7-diamine
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| Structure |
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| Formula |
C23H21N7OS
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| Molecular Weight |
443.536
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2)nc2c(Nc3ccon3)csc12)Cc1ccccc1
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| InChI |
InChI=1S/C23H21N7OS/c24-17(12-15-4-2-1-3-5-15)13-26-23-21-20(18(14-32-21)27-19-8-11-31-30-19)28-22(29-23)16-6-9-25-10-7-16/h1-11,14,17H,12-13,24H2,(H,27,30)(H,26,28,29)/t17-/m0/s1
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| InChIKey |
KVXQBCWCIGPXEO-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