176612 logo
canSAR176612
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCCN(CC(=O)N[C@@H](CC(=O)O)C(N)=O)C(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)(C)C
    InChI
    InChI=1S/C45H64N10O10S/c1-6-7-18-55(25-36(57)50-33(39(47)60)23-37(58)59)44(65)38(45(2,3)4)54-43(64)35(22-29-24-48-26-49-29)53-42(63)34(21-27-11-9-8-10-12-27)52-41(62)32(17-19-66-5)51-40(61)31(46)20-28-13-15-30(56)16-14-28/h8-16,24,26,31-35,38,56H,6-7,17-23,25,46H2,1-5H3,(H2,47,60)(H,48,49)(H,50,57)(H,51,61)(H,52,62)(H,53,63)(H,54,64)(H,58,59)/t31-,32+,33-,34-,35-,38+/m0/s1
    MOLECULAR FORMULA
    C45H64N10O10S
    CROSS REFERENCES
    176612 logo

    canSAR176612

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 936.45
    AlogP 0.28
    HBond donors 12
    HBond acceptors 20
    Atoms 130
    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 canSAR176612.