1147875 logo
canSAR1147875
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CC[C@H](O)[C@H]2C(=O)N[C@@H]([C@H](O)CC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=O)[C@H](CCCN)N(CCN)CCN)C(=O)O1
    InChI
    InChI=1S/C80H136N18O24/c1-9-10-11-12-13-14-15-16-17-18-19-22-52-39-60(108)90-63(45(5)99)74(115)87-44(4)69(110)89-54(37-49-25-27-50(103)28-26-49)70(111)92-62(43(2)3)78(119)98-42-51(104)38-56(98)72(113)93-65(47(7)101)76(117)94-66(48(8)102)79(120)97-34-29-57(105)68(97)77(118)95-67(58(106)40-59(84)107)73(114)86-41-61(109)91-64(46(6)100)75(116)88-53(80(121)122-52)23-21-33-85-71(112)55(24-20-30-81)96(35-31-82)36-32-83/h25-28,43-48,51-58,62-68,99-106H,9-24,29-42,81-83H2,1-8H3,(H2,84,107)(H,85,112)(H,86,114)(H,87,115)(H,88,116)(H,89,110)(H,90,108)(H,91,109)(H,92,111)(H,93,113)(H,94,117)(H,95,118)/t44-,45-,46-,47-,48-,51-,52-,53+,54+,55+,56+,57+,58-,62+,63+,64+,65+,66+,67+,68+/m1/s1
    MOLECULAR FORMULA
    C80H136N18O24
    CROSS REFERENCES
    1147875 logo

    canSAR1147875

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1733.00
    AlogP -6.99
    HBond donors 27
    HBond acceptors 42
    Atoms 258
    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 canSAR1147875.