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Cyclopentylphenyl Acetic Acid Polymixin B
FEATURES
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NAMES
  • Cyclopentylphenyl Acetic Acid Polymixin B
SMILES
CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)C(c2ccccc2)C2CCCC2)[C@@H](C)O)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC1=O
InChI
InChI=1S/C60H96N16O13/c1-33(2)31-45-56(85)69-39(19-25-61)50(79)68-42(22-28-64)54(83)75-48(34(3)77)59(88)66-30-24-44(53(82)67-40(20-26-62)52(81)74-46(57(86)73-45)32-36-13-7-5-8-14-36)70-51(80)41(21-27-63)72-60(89)49(35(4)78)76-55(84)43(23-29-65)71-58(87)47(38-17-11-12-18-38)37-15-9-6-10-16-37/h5-10,13-16,33-35,38-49,77-78H,11-12,17-32,61-65H2,1-4H3,(H,66,88)(H,67,82)(H,68,79)(H,69,85)(H,70,80)(H,71,87)(H,72,89)(H,73,86)(H,74,81)(H,75,83)(H,76,84)/t34-,35-,39+,40+,41+,42+,43+,44+,45+,46-,47?,48+,49+/m1/s1
MOLECULAR FORMULA
C60H96N16O13
CROSS REFERENCES
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Cyclopentylphenyl Acetic Acid Polymixin B

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 1248.73
AlogP -4.88
HBond donors 23
HBond acceptors 29
Atoms 185
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Cyclopentylphenyl Acetic Acid Polymixin B.