General Information of the Compound
| Compound ID |
CP0388154
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| Compound Name |
2-{4-[({8-carbamoyl-7-[(3,5-dimethoxyphenyl)amino]imidazo[1,2-a]pyrimidin-5-yl}amino)methyl]phenyl}acetic acid
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| Structure |
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| Formula |
C24H24N6O5
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| Molecular Weight |
476.493
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| Canonical SMILES |
COc1cc(Nc2nc(NCc3ccc(CC(O)=O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1
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| InChI |
InChI=1S/C24H24N6O5/c1-34-17-10-16(11-18(12-17)35-2)28-22-20(21(25)33)23-26-7-8-30(23)24(29-22)27-13-15-5-3-14(4-6-15)9-19(31)32/h3-8,10-12,28H,9,13H2,1-2H3,(H2,25,33)(H,27,29)(H,31,32)
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| InChIKey |
PFQHUUDPALIKDR-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