General Information of the Compound
| Compound ID |
CP0507456
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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]pentanediamide
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| Structure |
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| Formula |
C39H53N9O8
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| Molecular Weight |
775.908
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| Canonical SMILES |
CCc1c(C)[nH]c(=O)c(NC(=O)CCCC(=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/C39H53N9O8/c1-6-28-26(5)43-38(53)36(29(28)19-27-17-23(2)16-24(3)18-27)44-34(51)11-9-10-32(49)41-13-7-8-14-42-33(50)12-15-55-22-31-30(46-47-40)20-35(56-31)48-21-25(4)37(52)45-39(48)54/h16-18,21,30-31,35H,6-15,19-20,22H2,1-5H3,(H,41,49)(H,42,50)(H,43,53)(H,44,51)(H,45,52,54)
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| InChIKey |
QRJUYARVYJTXIC-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