General Information of the Compound
| Compound ID |
CP0344151
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| Compound Name |
4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C20H25N7O
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| Molecular Weight |
379.468
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| Canonical SMILES |
C(Cc1cnc[nH]1)Nc1ccnc(Nc2cccc(CN3CCOCC3)c2)n1
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| InChI |
InChI=1S/C20H25N7O/c1-2-16(14-27-8-10-28-11-9-27)12-17(3-1)25-20-23-7-5-19(26-20)22-6-4-18-13-21-15-24-18/h1-3,5,7,12-13,15H,4,6,8-11,14H2,(H,21,24)(H2,22,23,25,26)
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| InChIKey |
FTIGOWUZQQHANO-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: PT01383, MAP/microtubule affinity-regulating kinase 3
Protein ID: PT01667, MAP/microtubule affinity-regulating kinase 4
Protein ID: PT01212, Serine/threonine-protein kinase 17A
Protein ID: PT01682, Serine/threonine-protein kinase TBK1