General Information of the Compound
| Compound ID |
CP0529602
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| Compound Name |
4-(7-Methyl-quinazolin-4-yl)-piperazine-1-carboxylic acid (4-phenoxy-phenyl)-amide
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| Structure |
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| Formula |
C26H25N5O2
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| Molecular Weight |
439.519
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| Canonical SMILES |
Cc1ccc2c(ncnc2c1)N1CCN(CC1)C(=O)Nc1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C26H25N5O2/c1-19-7-12-23-24(17-19)27-18-28-25(23)30-13-15-31(16-14-30)26(32)29-20-8-10-22(11-9-20)33-21-5-3-2-4-6-21/h2-12,17-18H,13-16H2,1H3,(H,29,32)
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| InChIKey |
IESIZUQERZEHGT-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