General Information of the Compound
| Compound ID |
CP0522577
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| Compound Name |
1-[5-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]pentyl]-1-hexyl-3-propan-2-ylurea
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| Structure |
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| Formula |
C22H38N6O3S
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| Molecular Weight |
466.652
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| Canonical SMILES |
CCCCCCN(CCCCCSc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)C(=O)NC(C)C
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| InChI |
InChI=1S/C22H38N6O3S/c1-6-7-8-10-13-28(21(30)23-16(2)3)14-11-9-12-15-32-20-24-17-18(25-20)26(4)22(31)27(5)19(17)29/h16H,6-15H2,1-5H3,(H,23,30)(H,24,25)
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| InChIKey |
PQSRBWOBXUDLIV-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