1143673 logo
canSAR1143673
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CNC(=NCCCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O)NC
    InChI
    InChI=1S/C75H99FN18O13/c1-43(2)34-57(66(100)88-56(19-12-32-82-74(78)79)73(107)94-33-13-20-63(94)72(106)85-41-64(77)98)89-65(99)55(18-10-11-31-83-75(80-4)81-5)87-68(102)59(37-46-24-29-52(97)30-25-46)91-71(105)62(42-95)93-70(104)61(39-50-40-84-54-17-9-8-16-53(50)54)92-69(103)60(36-45-22-27-51(76)28-23-45)90-67(101)58(86-44(3)96)38-47-21-26-48-14-6-7-15-49(48)35-47/h6-9,14-17,21-30,35,40,43,55-63,84,95,97H,10-13,18-20,31-34,36-39,41-42H2,1-5H3,(H2,77,98)(H,85,106)(H,86,96)(H,87,102)(H,88,100)(H,89,99)(H,90,101)(H,91,105)(H,92,103)(H,93,104)(H4,78,79,82)(H2,80,81,83)/t55-,56+,57+,58-,59+,60-,61-,62+,63+/m1/s1
    MOLECULAR FORMULA
    C75H99FN18O13
    CROSS REFERENCES
    1143673 logo

    canSAR1143673

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1478.76
    AlogP -0.02
    HBond donors 20
    HBond acceptors 31
    Atoms 206
    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 canSAR1143673.