General Information of the Compound
| Compound ID |
CP0235591
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| Compound Name |
7-[(3,5-dimethoxyphenyl)amino]-5-(methylsulfanyl)imidazo[1,2-a]pyrimidine-8-carboxamide
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| Structure |
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| Formula |
C16H17N5O3S
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| Molecular Weight |
359.411
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| Canonical SMILES |
COc1cc(Nc2nc(SC)n3ccnc3c2C(N)=O)cc(OC)c1
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| InChI |
InChI=1S/C16H17N5O3S/c1-23-10-6-9(7-11(8-10)24-2)19-14-12(13(17)22)15-18-4-5-21(15)16(20-14)25-3/h4-8,19H,1-3H3,(H2,17,22)
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| InChIKey |
ACJWLOIIUMFWKS-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
Protein ID: PT02470, Lysine--tRNA ligase
Protein ID: PT00846, Tyrosine-protein kinase ZAP-70