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Nocathiacin Ii
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NAMES
  • Nocathiacin II
SMILES
C=C(NC(=O)c1csc(-c2nc3c(cc2O)-c2nc(cs2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N/C(=C(\C)OC)c2nc(cs2)C(=O)N[C@@H]2c4nc(cs4)C(=O)N[C@@H](COC(=O)c4[nH]c5cccc6c5c4CO[C@@H]2[C@H](O[C@H]2C[C@](C)(O)[C@H](N(C)C)[C@H](C)O2)C(=O)OC6)c2nc-3cs2)n1)C(N)=O
InChI
InChI=1S/C61H60N14O17S5/c1-22(48(62)78)63-49(79)32-19-96-57(69-32)43-36(77)12-27-41(71-43)31-17-94-55(66-31)30-16-90-59(84)42-28-15-88-45(46(60(85)89-14-26-10-9-11-29(64-42)38(26)28)92-37-13-61(5,86)47(75(6)7)25(4)91-37)44(58-70-33(20-97-58)50(80)65-30)74-52(82)35-21-95-56(68-35)40(24(3)87-8)73-53(83)39(23(2)76)72-51(81)34-18-93-54(27)67-34/h9-12,17-21,23,25,30,37,39,44-47,64,76-77,86H,1,13-16H2,2-8H3,(H2,62,78)(H,63,79)(H,65,80)(H,72,81)(H,73,83)(H,74,82)/b40-24+/t23-,25+,30+,37+,39+,44+,45+,46+,47-,61+/m1/s1
MOLECULAR FORMULA
C61H60N14O17S5
CROSS REFERENCES
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Nocathiacin Ii

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 1420.29
AlogP 4.18
HBond donors 11
HBond acceptors 31
Atoms 157
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Nocathiacin Ii.