General Information of the Compound
| Compound ID |
CP0496360
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| Compound Name |
N-[3-[[5-bromo-4-[3-(cyclobutanecarbonylamino)propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C23H30BrN7O2
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| Molecular Weight |
516.444
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| Canonical SMILES |
Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)C1CCC1
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| InChI |
InChI=1S/C23H30BrN7O2/c24-19-15-27-22(30-20(19)25-10-5-11-26-21(32)16-6-3-7-16)28-17-8-4-9-18(14-17)29-23(33)31-12-1-2-13-31/h4,8-9,14-16H,1-3,5-7,10-13H2,(H,26,32)(H,29,33)(H2,25,27,28,30)
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| InChIKey |
ZSZOBRBJIJWWHH-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