General Information of the Compound
| Compound ID |
CP0540307
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| Compound Name |
1-[5-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]-3-phenylurea
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| Structure |
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| Formula |
C25H29N7O2S
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| Molecular Weight |
491.621
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| Canonical SMILES |
CN(C)CCCOc1ccc2c(NCCc3cnc(NC(=O)Nc4ccccc4)s3)ncnc2c1
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| InChI |
InChI=1S/C25H29N7O2S/c1-32(2)13-6-14-34-19-9-10-21-22(15-19)28-17-29-23(21)26-12-11-20-16-27-25(35-20)31-24(33)30-18-7-4-3-5-8-18/h3-5,7-10,15-17H,6,11-14H2,1-2H3,(H,26,28,29)(H2,27,30,31,33)
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| InChIKey |
HFSAPSJDZCNDHC-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