General Information of the Compound
| Compound ID |
CP0408155
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| Compound Name |
tert-butyl 5-amino-4-(3-methoxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate
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| Structure |
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| Formula |
C19H21N3O3S2
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| Molecular Weight |
403.529
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| Canonical SMILES |
COc1cccc(c1)-c1nc(SC)nc2sc(C(=O)OC(C)(C)C)c(N)c12
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| InChI |
InChI=1S/C19H21N3O3S2/c1-19(2,3)25-17(23)15-13(20)12-14(10-7-6-8-11(9-10)24-4)21-18(26-5)22-16(12)27-15/h6-9H,20H2,1-5H3
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| InChIKey |
CNMOOUAOQMHVCC-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