General Information of the Compound
| Compound ID |
CP0954184
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| Compound Name |
(E)-3-[4-((S)-2-Amino-3-phenyl-propylamino)-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-7-yl]-acrylic acid
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| Structure |
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| Formula |
C23H21N5O2S
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| Molecular Weight |
431.521
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2)nc2c(/C=C/C(=O)O)csc12)Cc1ccccc1
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| InChI |
InChI=1S/C23H21N5O2S/c24-18(12-15-4-2-1-3-5-15)13-26-23-21-20(17(14-31-21)6-7-19(29)30)27-22(28-23)16-8-10-25-11-9-16/h1-11,14,18H,12-13,24H2,(H,29,30)(H,26,27,28)/b7-6+/t18-/m0/s1
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| InChIKey |
NLLUSJFAVQLYRM-DKFQHHCZSA-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