1768606 logo
canSAR1768606
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C/C=C/C[C@@H](C)[C@@H](O)C1C(=O)NC(C(C)O)C(=O)N(C)CC(=O)N(C)[C@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)NC(C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)NC(C(C)C)C(=O)N1C
    InChI
    InChI=1S/C61H109N11O13/c1-24-25-26-38(14)51(75)50-56(80)66-49(41(17)73)59(83)67(18)31-46(74)68(19)42(27-32(2)3)54(78)64-47(36(10)11)60(84)70(21)43(28-33(4)5)53(77)62-39(15)52(76)63-40(16)57(81)71(22)45(30-35(8)9)58(82)69(20)44(29-34(6)7)55(79)65-48(37(12)13)61(85)72(50)23/h24-25,32-45,47-51,73,75H,26-31H2,1-23H3,(H,62,77)(H,63,76)(H,64,78)(H,65,79)(H,66,80)/b25-24+/t38-,39?,40-,41?,42-,43-,44+,45+,47-,48?,49?,50?,51-/m1/s1
    MOLECULAR FORMULA
    C61H109N11O13
    CROSS REFERENCES
    1768606 logo

    canSAR1768606

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1203.82
    AlogP 1.90
    HBond donors 7
    HBond acceptors 24
    Atoms 194
    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 canSAR1768606.