General Information of the Compound
| Compound ID |
CP0375949
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| Compound Name |
4-(6,7-Difluoro-quinazolin-4-yl)-piperazine-1-carboxylic acid (4-phenoxy-phenyl)-amide
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| Structure |
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| Formula |
C25H21F2N5O2
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| Molecular Weight |
461.472
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| Canonical SMILES |
Fc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2cc1F
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| InChI |
InChI=1S/C25H21F2N5O2/c26-21-14-20-23(15-22(21)27)28-16-29-24(20)31-10-12-32(13-11-31)25(33)30-17-6-8-19(9-7-17)34-18-4-2-1-3-5-18/h1-9,14-16H,10-13H2,(H,30,33)
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| InChIKey |
PSVGRAFQKMMMBG-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