General Information of the Compound
| Compound ID |
CP0393339
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| Compound Name |
N-[4-[3-[1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propanoylamino]butyl]-5-[6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-2,4-dioxopyrimidin-1-yl]pentanamide
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| Structure |
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| Formula |
C35H47N9O8S
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| Molecular Weight |
753.883
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| Canonical SMILES |
CCc1c(Sc2cc(C)cc(C)c2)n(CCCCC(=O)NCCCCNC(=O)CCc2cn(C3CC(N=[N+]=[N-])C(CO)O3)c(=O)[nH]c2=O)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C35H47N9O8S/c1-4-25-32(49)40-34(50)43(33(25)53-24-16-21(2)15-22(3)17-24)14-8-5-9-28(46)37-12-6-7-13-38-29(47)11-10-23-19-44(35(51)39-31(23)48)30-18-26(41-42-36)27(20-45)52-30/h15-17,19,26-27,30,45H,4-14,18,20H2,1-3H3,(H,37,46)(H,38,47)(H,39,48,51)(H,40,49,50)
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| InChIKey |
GJIRSVMSHBWQPV-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