General Information of the Compound
| Compound ID |
CP0508061
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| Compound Name |
3-(2,4-difluorophenyl)-1-[5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]pentyl]-1-heptylurea
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| Structure |
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| Formula |
C33H39F2N5OS
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| Molecular Weight |
591.772
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| Canonical SMILES |
CCCCCCCN(CCCCCSc1nnc(-c2ccccc2)n1-c1ccccc1)C(=O)Nc1ccc(F)cc1F
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| InChI |
InChI=1S/C33H39F2N5OS/c1-2-3-4-5-13-22-39(32(41)36-30-21-20-27(34)25-29(30)35)23-14-8-15-24-42-33-38-37-31(26-16-9-6-10-17-26)40(33)28-18-11-7-12-19-28/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,36,41)
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| InChIKey |
VDTLUFGHUIYATP-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