General Information of the Compound
| Compound ID |
CP0367808
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| Compound Name |
CHEMBL5090394
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| Formula |
C24H22ClFN6O3
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| Molecular Weight |
496.93
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| Canonical SMILES |
CNc1ncc2cc(-c3ccc(cc3Cl)-c3ncccc3F)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1
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| InChI |
InChI=1S/C24H22ClFN6O3/c1-28-24-30-9-14-7-17(16-5-4-13(8-18(16)25)21-19(26)3-2-6-29-21)23(33)32(22(14)31-24)10-20-34-11-15(27)12-35-20/h2-9,15,20H,10-12,27H2,1H3,(H,28,30,31)/t15-,20-
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| InChIKey |
QKNBRNSGPNCARD-SGNKCFNYSA-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: PT00883, Angiopoietin-1 receptor
Protein ID: PT02501, Mitogen-activated protein kinase kinase kinase kinase 5
Protein ID: PT01338, Serine/threonine-protein kinase 26
Protein ID: PT03213, Serine/threonine-protein kinase N3
Protein ID: PT00942, Serine/threonine-protein kinase NLK
Protein ID: PT01668, Serine/threonine-protein kinase SIK1