General Information of the Compound
| Compound ID |
CP0275672
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| Compound Name |
N-[3-[[4-[3-(cyclobutanecarbonylamino)propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C23H31N7O2
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| Molecular Weight |
437.548
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| Canonical SMILES |
O=C(NCCCNc1ccnc(Nc2cccc(NC(=O)N3CCCC3)c2)n1)C1CCC1
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| InChI |
InChI=1S/C23H31N7O2/c31-21(17-6-3-7-17)25-12-5-11-24-20-10-13-26-22(29-20)27-18-8-4-9-19(16-18)28-23(32)30-14-1-2-15-30/h4,8-10,13,16-17H,1-3,5-7,11-12,14-15H2,(H,25,31)(H,28,32)(H2,24,26,27,29)
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| InChIKey |
PKEYNQACQWYICF-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