General Information of the Compound
| Compound ID |
CP0275671
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| Compound Name |
5-cyclopropyl-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 |
C23H29N7O
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| Molecular Weight |
419.533
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| Canonical SMILES |
C(Cc1c[nH]cn1)Nc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1
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| InChI |
InChI=1S/C23H29N7O/c1-2-17(15-30-8-10-31-11-9-30)12-19(3-1)28-23-26-14-21(18-4-5-18)22(29-23)25-7-6-20-13-24-16-27-20/h1-3,12-14,16,18H,4-11,15H2,(H,24,27)(H2,25,26,28,29)
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| InChIKey |
HZHDCONQUBRRDH-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