General Information of the Compound
| Compound ID |
CP0440528
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| Compound Name |
7-(3,5-dimethoxyanilino)-5-[[(1S,2R)-2-hydroxycyclohexyl]amino]imidazo[1,2-c]pyrimidine-8-carboxamide
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| Structure |
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| Formula |
C21H26N6O4
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| Molecular Weight |
426.477
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| Canonical SMILES |
COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3O)n3ccnc3c2C(N)=O)cc(OC)c1
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| InChI |
InChI=1S/C21H26N6O4/c1-30-13-9-12(10-14(11-13)31-2)24-19-17(18(22)29)20-23-7-8-27(20)21(26-19)25-15-5-3-4-6-16(15)28/h7-11,15-16,24,28H,3-6H2,1-2H3,(H2,22,29)(H,25,26)/t15-,16+/m0/s1
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| InChIKey |
XQBGYUQLHOJLQM-JKSUJKDBSA-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: PT01441, Tyrosine-protein kinase SYK
Protein ID: PT00846, Tyrosine-protein kinase ZAP-70