General Information of the Compound
| Compound ID |
CP0400770
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| Compound Name |
4-[2-(4-bromoanilino)quinazolin-6-yl]oxy-N-(2-hydroxyethyl)pyridine-2-carboxamide
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| Structure |
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| Formula |
C22H18BrN5O3
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| Molecular Weight |
480.322
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| Canonical SMILES |
OCCNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Br)cc4)ncc3c2)ccn1
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| InChI |
InChI=1S/C22H18BrN5O3/c23-15-1-3-16(4-2-15)27-22-26-13-14-11-17(5-6-19(14)28-22)31-18-7-8-24-20(12-18)21(30)25-9-10-29/h1-8,11-13,29H,9-10H2,(H,25,30)(H,26,27,28)
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| InChIKey |
ZXNPMBHLDKWRRV-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