General Information of the Compound
| Compound ID |
CP0379332
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| Compound Name |
4-[3-[[3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]propanoylamino]-N-[2-[[2-[[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide
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| Structure |
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| Formula |
C38H50N10O9
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| Molecular Weight |
790.879
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| Canonical SMILES |
CCc1c(C)[nH]c(=O)c(NC(=O)CNC(=O)CNC(=O)CCCNC(=O)CCOCC2OC(CC2N=[N+]=[N-])n2cc(C)c(=O)[nH]c2=O)c1Cc1cc(C)cc(C)c1
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| InChI |
InChI=1S/C38H50N10O9/c1-6-26-24(5)43-37(54)35(27(26)15-25-13-21(2)12-22(3)14-25)44-33(52)18-42-32(51)17-41-30(49)8-7-10-40-31(50)9-11-56-20-29-28(46-47-39)16-34(57-29)48-19-23(4)36(53)45-38(48)55/h12-14,19,28-29,34H,6-11,15-18,20H2,1-5H3,(H,40,50)(H,41,49)(H,42,51)(H,43,54)(H,44,52)(H,45,53,55)
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| InChIKey |
PQSZHJDLSKTDSO-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