General Information of the Compound
| Compound ID |
CP0557866
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| Compound Name |
N-[6-[3-(dimethylamino)phenoxy]-4-oxo-3H-quinazolin-7-yl]-2-[[4-(trifluoromethyl)phenyl]methoxy]acetamide
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| Formula |
C26H23F3N4O4
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| Molecular Weight |
512.488
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| Canonical SMILES |
CN(C)c1cccc(Oc2cc3c(cc2NC(=O)COCc2ccc(cc2)C(F)(F)F)nc[nH]c3=O)c1
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| InChI |
InChI=1S/C26H23F3N4O4/c1-33(2)18-4-3-5-19(10-18)37-23-11-20-21(30-15-31-25(20)35)12-22(23)32-24(34)14-36-13-16-6-8-17(9-7-16)26(27,28)29/h3-12,15H,13-14H2,1-2H3,(H,32,34)(H,30,31,35)
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| InChIKey |
BCPNALSDHWZRMB-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