General Information of the Compound
| Compound ID |
CP0503168
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| Compound Name |
4-(8-Methoxy-quinazolin-4-yl)-piperazine-1-carboxylic acid (4-phenoxy-phenyl)-amide
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| Structure |
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| Formula |
C26H25N5O3
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| Molecular Weight |
455.518
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| Canonical SMILES |
COc1cccc2c(ncnc12)N1CCN(CC1)C(=O)Nc1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C26H25N5O3/c1-33-23-9-5-8-22-24(23)27-18-28-25(22)30-14-16-31(17-15-30)26(32)29-19-10-12-21(13-11-19)34-20-6-3-2-4-7-20/h2-13,18H,14-17H2,1H3,(H,29,32)
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| InChIKey |
VHARWWYISHLWGD-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