1141897 logo
canSAR1141897
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc2ccccc2)NC1=O
    InChI
    InChI=1S/C58H74N14O12/c59-57(60)63-29-13-23-39-49(77)69-46(34-38-21-11-4-12-22-38)56(84)68-42(26-28-48(75)76)52(80)72-44(32-36-17-7-2-8-18-36)54(82)66-40(24-14-30-64-58(61)62)50(78)70-45(33-37-19-9-3-10-20-37)55(83)67-41(25-27-47(73)74)51(79)71-43(53(81)65-39)31-35-15-5-1-6-16-35/h1-12,15-22,39-46H,13-14,23-34H2,(H,65,81)(H,66,82)(H,67,83)(H,68,84)(H,69,77)(H,70,78)(H,71,79)(H,72,80)(H,73,74)(H,75,76)(H4,59,60,63)(H4,61,62,64)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
    MOLECULAR FORMULA
    C58H74N14O12
    CROSS REFERENCES
    1141897 logo

    canSAR1141897

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1158.56
    AlogP -7.20
    HBond donors 18
    HBond acceptors 26
    Atoms 158
    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 canSAR1141897.