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canSAR1063770
FEATURES
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NAMES
    SMILES
    CC(=O)CCCCCCCCN[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C
    InChI
    InChI=1S/C57H110N16O9/c1-34(2)30-43(64-27-19-15-13-12-14-16-22-39(11)74)51(78)70-45(32-36(5)6)53(80)72-46(33-37(7)8)54(81)71-44(31-35(3)4)52(79)68-42(25-21-29-66-57(62)63)50(77)73-47(38(9)10)55(82)69-41(23-17-18-26-58)49(76)67-40(48(59)75)24-20-28-65-56(60)61/h34-38,40-47,64H,12-33,58H2,1-11H3,(H2,59,75)(H,67,76)(H,68,79)(H,69,82)(H,70,78)(H,71,81)(H,72,80)(H,73,77)(H4,60,61,65)(H4,62,63,66)/t40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
    MOLECULAR FORMULA
    C57H110N16O9
    CROSS REFERENCES
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    canSAR1063770

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1162.86
    AlogP 1.64
    HBond donors 20
    HBond acceptors 25
    Atoms 192
    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 canSAR1063770.