General Information of the Compound
| Compound ID |
CP0557801
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| Compound Name |
N-[6-(3-morpholin-4-ylphenoxy)-4-oxo-3H-quinazolin-7-yl]-4-[4-(trifluoromethyl)phenoxy]butanamide
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| Formula |
C29H27F3N4O5
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| Molecular Weight |
568.552
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| Canonical SMILES |
FC(F)(F)c1ccc(OCCCC(=O)Nc2cc3nc[nH]c(=O)c3cc2Oc2cccc(c2)N2CCOCC2)cc1
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| InChI |
InChI=1S/C29H27F3N4O5/c30-29(31,32)19-6-8-21(9-7-19)40-12-2-5-27(37)35-25-17-24-23(28(38)34-18-33-24)16-26(25)41-22-4-1-3-20(15-22)36-10-13-39-14-11-36/h1,3-4,6-9,15-18H,2,5,10-14H2,(H,35,37)(H,33,34,38)
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| InChIKey |
QDOFFPRPDYZUEK-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