464761 logo
canSAR464761
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)c(I)c2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(N)c(I)c2)CSSC[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O
    InChI
    InChI=1S/C50H66I2N12O10S2/c1-24(2)41-50(74)62-39(49(73)64-42(25(3)65)43(56)67)23-76-75-22-38(61-44(68)33(55)18-26-11-13-32(54)30(51)16-26)48(72)59-36(19-27-12-14-40(66)31(52)17-27)46(70)60-37(20-28-21-57-34-9-5-4-8-29(28)34)47(71)58-35(45(69)63-41)10-6-7-15-53/h4-5,8-9,11-14,16-17,21,24-25,33,35-39,41-42,57,65-66H,6-7,10,15,18-20,22-23,53-55H2,1-3H3,(H2,56,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,74)(H,63,69)(H,64,73)/t25-,33+,35+,36+,37-,38+,39-,41-,42+/m1/s1
    MOLECULAR FORMULA
    C50H66I2N12O10S2
    CROSS REFERENCES
    464761 logo

    canSAR464761

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1312.26
    AlogP 0.46
    HBond donors 18
    HBond acceptors 22
    Atoms 142
    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 canSAR464761.