General Information of the Compound
| Compound ID |
CP0392409
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| Compound Name |
3-(2,4-difluorophenyl)-1-heptyl-1-[5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pentyl]urea
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| Structure |
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| Formula |
C27H35F2N5OS
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| Molecular Weight |
515.674
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| Canonical SMILES |
CCCCCCCN(CCCCCSc1n[nH]c(n1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
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| InChI |
InChI=1S/C27H35F2N5OS/c1-2-3-4-5-10-17-34(27(35)30-24-16-15-22(28)20-23(24)29)18-11-7-12-19-36-26-31-25(32-33-26)21-13-8-6-9-14-21/h6,8-9,13-16,20H,2-5,7,10-12,17-19H2,1H3,(H,30,35)(H,31,32,33)
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| InChIKey |
HJYLJHRLKSUWNJ-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