161671 logo
canSAR161671
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCC(C)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCSC)C(N)=O
    InChI
    InChI=1S/C46H63N11O6S/c1-4-28(2)39(45(63)56-36(24-29-14-7-5-8-15-29)42(60)53-35(40(48)58)21-23-64-3)57-44(62)37(25-30-16-9-6-10-17-30)55-43(61)38(26-31-27-52-34-20-12-11-18-32(31)34)54-41(59)33(47)19-13-22-51-46(49)50/h5-12,14-18,20,27-28,33,35-39,52H,4,13,19,21-26,47H2,1-3H3,(H2,48,58)(H,53,60)(H,54,59)(H,55,61)(H,56,63)(H,57,62)(H4,49,50,51)/t28?,33-,35+,36+,37+,38-,39+/m0/s1
    MOLECULAR FORMULA
    C46H63N11O6S
    CROSS REFERENCES
    161671 logo

    canSAR161671

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 897.47
    AlogP 1.29
    HBond donors 14
    HBond acceptors 17
    Atoms 127
    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 canSAR161671.