General Information of the Compound
| Compound ID |
CP0579872
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| Compound Name |
[1-[3-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]propyl]triazol-4-yl]methyl (Z)-4-oxo-4-(tetradecylamino)but-2-enoate
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| Structure |
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| Formula |
C33H58N6O7
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| Molecular Weight |
650.862
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| Canonical SMILES |
CCCCCCCCCCCCCCNC(=O)\C=C/C(=O)OCc1cn(CCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO)nn1
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| InChI |
InChI=1S/C33H58N6O7/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-34-28(41)17-18-30(43)46-25-27-24-39(38-37-27)23-16-21-35-29(42)19-22-36-32(45)31(44)33(2,3)26-40/h17-18,24,31,40,44H,4-16,19-23,25-26H2,1-3H3,(H,34,41)(H,35,42)(H,36,45)/b18-17-/t31-/m0/s1
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| InChIKey |
ZPSZSMLWXYKVIO-JADADZOQSA-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