General Information of the Compound
| Compound ID |
CP0377796
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| Compound Name |
7-[(3,5-dimethoxyphenyl)amino]-5-({[4-(hydroxymethyl)phenyl]methyl}amino)imidazo[1,2-a]pyrimidine-8-carboxamide
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| Structure |
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| Formula |
C23H24N6O4
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| Molecular Weight |
448.483
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| Canonical SMILES |
COc1cc(Nc2nc(NCc3ccc(CO)cc3)n3ccnc3c2C(N)=O)cc(OC)c1
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| InChI |
InChI=1S/C23H24N6O4/c1-32-17-9-16(10-18(11-17)33-2)27-21-19(20(24)31)22-25-7-8-29(22)23(28-21)26-12-14-3-5-15(13-30)6-4-14/h3-11,27,30H,12-13H2,1-2H3,(H2,24,31)(H,26,28)
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| InChIKey |
MQPRYPLDZSYDOO-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