General Information of the Compound
| Compound ID |
CP0405196
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| Compound Name |
N-[4-[3-[[3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]propanoylamino]butyl]-N'-[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl]decanediamide
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| Structure |
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| Formula |
C44H63N9O8
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| Molecular Weight |
846.043
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| Canonical SMILES |
CCc1c(C)[nH]c(=O)c(NC(=O)CCCCCCCCC(=O)NCCCCNC(=O)CCOCC2OC(CC2N=[N+]=[N-])n2cc(C)c(=O)[nH]c2=O)c1Cc1cc(C)cc(C)c1
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| InChI |
InChI=1S/C44H63N9O8/c1-6-33-31(5)48-43(58)41(34(33)24-32-22-28(2)21-29(3)23-32)49-39(56)16-12-10-8-7-9-11-15-37(54)46-18-13-14-19-47-38(55)17-20-60-27-36-35(51-52-45)25-40(61-36)53-26-30(4)42(57)50-44(53)59/h21-23,26,35-36,40H,6-20,24-25,27H2,1-5H3,(H,46,54)(H,47,55)(H,48,58)(H,49,56)(H,50,57,59)
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| InChIKey |
SUKXZAPHSUBTSM-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