General Information of the Compound
| Compound ID |
CP0469226
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| Compound Name |
1-[5-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pentyl]-1-heptyl-3-propan-2-ylurea
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| Structure |
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| Formula |
C20H37N5O2S
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| Molecular Weight |
411.616
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| Canonical SMILES |
CCCCCCCN(CCCCCSc1nc(N)cc(O)n1)C(=O)NC(C)C
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| InChI |
InChI=1S/C20H37N5O2S/c1-4-5-6-7-9-12-25(20(27)22-16(2)3)13-10-8-11-14-28-19-23-17(21)15-18(26)24-19/h15-16H,4-14H2,1-3H3,(H,22,27)(H3,21,23,24,26)
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| InChIKey |
TWXRTUFZFBZVLC-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