1065945 logo
Rac-Poca-Coa
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
  • Rac-Poca-Coa
SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)cnnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1(CCCCCc2ccc(Cl)cc2)CO1
InChI
InChI=1S/C35H51ClN7O18P3S/c1-34(2,29(46)31(47)39-13-11-25(44)38-14-15-65-33(48)35(19-56-35)12-5-3-4-6-21-7-9-22(36)10-8-21)18-58-64(54,55)61-63(52,53)57-17-24-28(60-62(49,50)51)27(45)32(59-24)43-20-40-26-23(37)16-41-42-30(26)43/h7-10,16,20,24,27-29,32,45-46H,3-6,11-15,17-19H2,1-2H3,(H2,37,42)(H,38,44)(H,39,47)(H,52,53)(H,54,55)(H2,49,50,51)/t24-,27-,28-,29+,32-,35?/m1/s1
MOLECULAR FORMULA
C35H51ClN7O18P3S
CROSS REFERENCES
1065945 logo

Rac-Poca-Coa

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 1017.19
AlogP 1.89
HBond donors 10
HBond acceptors 25
Atoms 116
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 Rac-Poca-Coa.