General Information of the Compound
| Compound ID |
CP0275666
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| Compound Name |
N-[3-[[4-[3-(cyclobutanecarbonylamino)propylamino]-5-cyclopropylpyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C26H35N7O2
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| Molecular Weight |
477.613
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| Canonical SMILES |
O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1C1CC1)C1CCC1
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| InChI |
InChI=1S/C26H35N7O2/c34-24(19-6-3-7-19)28-13-5-12-27-23-22(18-10-11-18)17-29-25(32-23)30-20-8-4-9-21(16-20)31-26(35)33-14-1-2-15-33/h4,8-9,16-19H,1-3,5-7,10-15H2,(H,28,34)(H,31,35)(H2,27,29,30,32)
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| InChIKey |
YQKQQLKFPBCSDP-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