General Information of the Compound
| Compound ID |
CP0497318
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| Compound Name |
3-(2,4-difluorophenyl)-1-heptyl-1-[5-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]pentyl]urea
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| Structure |
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| Formula |
C27H34F2N4O2S
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| Molecular Weight |
516.658
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| Canonical SMILES |
CCCCCCCN(CCCCCSc1nc(O)c2ccccc2n1)C(=O)Nc1ccc(F)cc1F
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| InChI |
InChI=1S/C27H34F2N4O2S/c1-2-3-4-5-9-16-33(27(35)31-24-15-14-20(28)19-22(24)29)17-10-6-11-18-36-26-30-23-13-8-7-12-21(23)25(34)32-26/h7-8,12-15,19H,2-6,9-11,16-18H2,1H3,(H,31,35)(H,30,32,34)
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| InChIKey |
UZDBJPXPHOJFSW-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