General Information of the Compound
| Compound ID |
CP0494602
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| Compound Name |
[1-[(1-hydroxy-2-oxoazepan-3-yl)amino]-2-methyl-1-oxohexadecan-3-yl] 6-[acetyl(hydroxy)amino]-2-[[2-(2-hydroxyphenyl)-1,3-oxazole-4-carbonyl]amino]hexanoate
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| Synonyms |
Nocardimicin D
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| Structure |
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| Formula |
C41H63N5O10
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| Molecular Weight |
785.98
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| Canonical SMILES |
CCCCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(n1)-c1ccccc1O)C(C)C(=O)NC1CCCCN(O)C1=O
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| InChI |
InChI=1S/C41H63N5O10/c1-4-5-6-7-8-9-10-11-12-13-14-25-36(29(2)37(49)42-32-22-17-20-27-46(54)40(32)51)56-41(52)33(23-18-19-26-45(53)30(3)47)43-38(50)34-28-55-39(44-34)31-21-15-16-24-35(31)48/h15-16,21,24,28-29,32-33,36,48,53-54H,4-14,17-20,22-23,25-27H2,1-3H3,(H,42,49)(H,43,50)
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| InChIKey |
CILDOHPTQUQJJM-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
Clinical Information about the Compound