General Information of the Compound
| Compound ID |
CP0540042
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| Compound Name |
1-heptyl-1-[5-[(5-oxo-4,4-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-3-propan-2-ylurea
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| Structure |
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| Formula |
C31H44N4O2S
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| Molecular Weight |
536.786
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| Canonical SMILES |
CCCCCCCN(CCCCCSC1=NC(=O)C(N1)(c1ccccc1)c1ccccc1)C(=O)NC(C)C
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| InChI |
InChI=1S/C31H44N4O2S/c1-4-5-6-7-15-22-35(30(37)32-25(2)3)23-16-10-17-24-38-29-33-28(36)31(34-29,26-18-11-8-12-19-26)27-20-13-9-14-21-27/h8-9,11-14,18-21,25H,4-7,10,15-17,22-24H2,1-3H3,(H,32,37)(H,33,34,36)
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| InChIKey |
MRXFISSCLLVXGQ-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