General Information of the Compound
| Compound ID |
CP0471790
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| Compound Name |
5-[6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-2,4-dioxopyrimidin-1-yl]-N-[12-[[1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]dodecyl]pentanamide
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| Structure |
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| Formula |
C40H60N6O6S
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| Molecular Weight |
753.023
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| Canonical SMILES |
CCc1c(Sc2cc(C)cc(C)c2)n(CCCCC(=O)NCCCCCCCCCCCCNc2ccn(C3CCC(CO)O3)c(=O)n2)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C40H60N6O6S/c1-4-33-37(49)44-40(51)46(38(33)53-32-26-29(2)25-30(3)27-32)23-16-13-17-35(48)42-22-15-12-10-8-6-5-7-9-11-14-21-41-34-20-24-45(39(50)43-34)36-19-18-31(28-47)52-36/h20,24-27,31,36,47H,4-19,21-23,28H2,1-3H3,(H,42,48)(H,41,43,50)(H,44,49,51)
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| InChIKey |
RLKILMJAZQUIFT-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