General Information of the Compound
| Compound ID |
CP0503030
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| Compound Name |
4-[2-(4-bromoanilino)quinazolin-6-yl]oxy-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
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| Structure |
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| Formula |
C27H27BrN6O2
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| Molecular Weight |
547.457
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| Canonical SMILES |
Brc1ccc(Nc2ncc3cc(Oc4ccnc(c4)C(=O)NCCN4CCCCC4)ccc3n2)cc1
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| InChI |
InChI=1S/C27H27BrN6O2/c28-20-4-6-21(7-5-20)32-27-31-18-19-16-22(8-9-24(19)33-27)36-23-10-11-29-25(17-23)26(35)30-12-15-34-13-2-1-3-14-34/h4-11,16-18H,1-3,12-15H2,(H,30,35)(H,31,32,33)
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| InChIKey |
INCNZIQEIQYEPG-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