General Information of the Compound
| Compound ID |
CP0336492
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| Compound Name |
4-N-(3-bromophenyl)-6-N-(3-piperidin-1-ylpropyl)quinazoline-4,6-diamine
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| Structure |
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| Formula |
C22H26BrN5
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| Molecular Weight |
440.389
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| Canonical SMILES |
Brc1cccc(Nc2ncnc3ccc(NCCCN4CCCCC4)cc23)c1
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| InChI |
InChI=1S/C22H26BrN5/c23-17-6-4-7-19(14-17)27-22-20-15-18(8-9-21(20)25-16-26-22)24-10-5-13-28-11-2-1-3-12-28/h4,6-9,14-16,24H,1-3,5,10-13H2,(H,25,26,27)
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| InChIKey |
CMIAMHVCKPWEGD-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