General Information of the Compound
| Compound ID |
CP0096218
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| Compound Name |
N-[4-(6,7-dimethoxycinnolin-4-yl)oxyphenyl]-4-oxo-1-propan-2-ylquinoline-3-carboxamide
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| Structure |
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| Formula |
C29H26N4O5
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| Molecular Weight |
510.55
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| Canonical SMILES |
COc1cc2nncc(Oc3ccc(NC(=O)c4cn(C(C)C)c5ccccc5c4=O)cc3)c2cc1OC
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| InChI |
InChI=1S/C29H26N4O5/c1-17(2)33-16-22(28(34)20-7-5-6-8-24(20)33)29(35)31-18-9-11-19(12-10-18)38-27-15-30-32-23-14-26(37-4)25(36-3)13-21(23)27/h5-17H,1-4H3,(H,31,35)
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| InChIKey |
JVQKIXBAOVAPKB-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: PT01533, Mitogen-activated protein kinase kinase kinase 5