General Information of the Compound
| Compound ID |
CP0460494
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| Compound Name |
4-[[1-[7-[(5,6-dimethoxypyridin-2-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyrrolidine-3-carbonyl]amino]benzoic acid
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| Structure |
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| Formula |
C24H23N7O5S
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| Molecular Weight |
521.559
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| Canonical SMILES |
COc1ccc(Nc2nc(nc3scnc23)N2CCC(C2)C(=O)Nc2ccc(cc2)C(O)=O)nc1OC
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| InChI |
InChI=1S/C24H23N7O5S/c1-35-16-7-8-17(28-21(16)36-2)27-19-18-22(37-12-25-18)30-24(29-19)31-10-9-14(11-31)20(32)26-15-5-3-13(4-6-15)23(33)34/h3-8,12,14H,9-11H2,1-2H3,(H,26,32)(H,33,34)(H,27,28,29,30)
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| InChIKey |
WSQVDEWDIGBTHW-UHFFFAOYSA-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