831800 logo
canSAR831800
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1cc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1NCCCCCCNC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
    InChI
    InChI=1S/C51H67N9O6S/c1-34-28-35(30-59-33-56-40-31-60(43(50(64)65)29-42(40)59)49(63)46(36-16-6-4-7-17-36)37-18-8-5-9-19-37)23-24-39(34)53-25-13-2-3-14-27-55-48(62)38(52)20-12-15-26-54-45(61)22-11-10-21-44-47-41(32-67-44)57-51(66)58-47/h4-9,16-19,23-24,28,33,38,41,43-44,46-47,53H,2-3,10-15,20-22,25-27,29-32,52H2,1H3,(H,54,61)(H,55,62)(H,64,65)(H2,57,58,66)/t38-,41-,43-,44-,47-/m0/s1
    MOLECULAR FORMULA
    C51H67N9O6S
    CROSS REFERENCES
    831800 logo

    canSAR831800

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 933.49
    AlogP 5.84
    HBond donors 8
    HBond acceptors 15
    Atoms 134
    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 canSAR831800.