General Information of the Compound
| Compound ID |
CP0576234
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| Compound Name |
1-[4-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]phenyl]-3-phenylurea
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| Structure |
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| Formula |
C28H32N6O2
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| Molecular Weight |
484.604
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| Canonical SMILES |
CN(C)CCCOc1ccc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2c1
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| InChI |
InChI=1S/C28H32N6O2/c1-34(2)17-6-18-36-24-13-14-25-26(19-24)30-20-31-27(25)29-16-15-21-9-11-23(12-10-21)33-28(35)32-22-7-4-3-5-8-22/h3-5,7-14,19-20H,6,15-18H2,1-2H3,(H,29,30,31)(H2,32,33,35)
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| InChIKey |
RADWEEJGFUTQGB-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