General Information of the Compound
| Compound ID |
CP0538455
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| Compound Name |
4-(6-Iodo-quinazolin-4-yl)-piperazine-1-carboxylic acid (4-phenoxy-phenyl)-amide
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| Structure |
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| Formula |
C25H22IN5O2
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| Molecular Weight |
551.388
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| Canonical SMILES |
Ic1ccc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2c1
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| InChI |
InChI=1S/C25H22IN5O2/c26-18-6-11-23-22(16-18)24(28-17-27-23)30-12-14-31(15-13-30)25(32)29-19-7-9-21(10-8-19)33-20-4-2-1-3-5-20/h1-11,16-17H,12-15H2,(H,29,32)
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| InChIKey |
NREUOEVYOIBCFF-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