General Information of the Compound
| Compound ID |
CP0440525
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| Compound Name |
5-[(2-aminoethyl)amino]-7-[(3,5-dimethoxyphenyl)amino]imidazo[1,2-a]pyrimidine-8-carboxamide
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| Structure |
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| Formula |
C17H21N7O3
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| Molecular Weight |
371.401
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| Canonical SMILES |
COc1cc(Nc2nc(NCCN)n3ccnc3c2C(N)=O)cc(OC)c1
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| InChI |
InChI=1S/C17H21N7O3/c1-26-11-7-10(8-12(9-11)27-2)22-15-13(14(19)25)16-20-5-6-24(16)17(23-15)21-4-3-18/h5-9,22H,3-4,18H2,1-2H3,(H2,19,25)(H,21,23)
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| InChIKey |
XJSCJPRKDAUMHP-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: PT01441, Tyrosine-protein kinase SYK
Protein ID: PT00846, Tyrosine-protein kinase ZAP-70