1144753 logo
canSAR1144753
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[C@H](O)[C@H]1NC(=O)C(N)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O
    InChI
    InChI=1S/C54H61ClN12O9S2/c1-29(68)46-54(76)66-45(52(74)62-41(47(58)69)21-31-12-15-33-8-2-3-9-34(33)19-31)28-78-77-27-44(65-48(70)38(56)20-30-13-16-36(55)17-14-30)53(75)63-42(22-32-7-6-18-59-24-32)51(73)64-43(50(72)61-26-39(57)49(71)67-46)23-35-25-60-40-11-5-4-10-37(35)40/h2-19,24-25,29,38-39,41-46,60,68H,20-23,26-28,56-57H2,1H3,(H2,58,69)(H,61,72)(H,62,74)(H,63,75)(H,64,73)(H,65,70)(H,66,76)(H,67,71)/t29-,38-,39?,41-,42-,43+,44-,45+,46+/m0/s1
    MOLECULAR FORMULA
    C54H61ClN12O9S2
    CROSS REFERENCES
    1144753 logo

    canSAR1144753

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1120.38
    AlogP 0.58
    HBond donors 15
    HBond acceptors 21
    Atoms 139
    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 canSAR1144753.