General Information of the Compound
| Compound ID |
CP0514624
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| Compound Name |
1-[5-[(4-benzyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pentyl]-1-heptyl-3-propan-2-ylurea
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| Structure |
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| Formula |
C27H42N4O2S
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| Molecular Weight |
486.726
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| Canonical SMILES |
CCCCCCCN(CCCCCSc1nc(O)cc(Cc2ccccc2)n1)C(=O)NC(C)C
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| InChI |
InChI=1S/C27H42N4O2S/c1-4-5-6-7-12-17-31(27(33)28-22(2)3)18-13-9-14-19-34-26-29-24(21-25(32)30-26)20-23-15-10-8-11-16-23/h8,10-11,15-16,21-22H,4-7,9,12-14,17-20H2,1-3H3,(H,28,33)(H,29,30,32)
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| InChIKey |
AIVCLKKZSKRIDG-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