General Information of the Compound
| Compound ID |
CP0509766
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| Compound Name |
1-hexyl-3-propan-2-yl-1-[2-[2-(7H-purin-8-ylsulfanyl)ethoxy]ethyl]urea
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| Structure |
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| Formula |
C19H32N6O2S
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| Molecular Weight |
408.572
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| Canonical SMILES |
CCCCCCN(CCOCCSc1nc2c[nH]cnc2n1)C(=O)NC(C)C
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| InChI |
InChI=1S/C19H32N6O2S/c1-4-5-6-7-8-25(19(26)22-15(2)3)9-10-27-11-12-28-18-23-16-13-20-14-21-17(16)24-18/h13-15H,4-12H2,1-3H3,(H,22,26)(H,20,21,23,24)
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| InChIKey |
JXJJTAZPYRXHHS-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