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PD-142251
FEATURES
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NAMES
  • PD-142251
SMILES
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccc(N=[N+]=[N-])c(I)c1
InChI
InChI=1S/C33H37IN6O5/c1-33(16-23-17-36-27-5-3-2-4-25(23)27,38-32(44)45-30-21-9-19-8-20(11-21)12-22(30)10-19)31(43)37-24(15-29(41)42)13-18-6-7-28(39-40-35)26(34)14-18/h2-7,14,17,19-22,24,30,36H,8-13,15-16H2,1H3,(H,37,43)(H,38,44)(H,41,42)/t19?,20?,21?,22?,24-,30?,33-/m1/s1
MOLECULAR FORMULA
C33H37IN6O5
CROSS REFERENCES
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PD-142251

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 724.19
AlogP 6.77
HBond donors 4
HBond acceptors 11
Atoms 82
Contains toxicophore Yes
Contains PAINS Yes
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by PD-142251.