830549 logo
canSAR830549
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)(C)SS[C@@H](C(=O)N2C(C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CCC2C(C)(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
    InChI
    InChI=1S/C48H75N11O12S2/c1-10-25(4)38-44(70)54-28(15-18-34(49)61)40(66)55-31(21-35(50)62)42(68)58-45(72-73-48(8,9)22-37(64)53-30(41(67)57-38)20-26-11-13-27(60)14-12-26)46(71)59-32(16-17-33(59)47(5,6)7)43(69)56-29(19-24(2)3)39(65)52-23-36(51)63/h11-14,24-25,28-33,38,45,60H,10,15-23H2,1-9H3,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,64)(H,54,70)(H,55,66)(H,56,69)(H,57,67)(H,58,68)/t25-,28-,29-,30-,31-,32?,33?,38-,45-/m0/s1
    MOLECULAR FORMULA
    C48H75N11O12S2
    CROSS REFERENCES
    830549 logo

    canSAR830549

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1061.50
    AlogP -0.40
    HBond donors 14
    HBond acceptors 23
    Atoms 148
    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 canSAR830549.