832856 logo
canSAR832856
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(NC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)C(N)=O)NC1=O
    InChI
    InChI=1S/C60H73ClN16O13S2/c1-30(78)49-58(88)74-47(56(86)70-42(50(64)80)23-32-11-17-36(18-12-32)67-53(83)45-26-48(79)76-60(90)75-45)29-92-91-28-46(73-51(81)39(63)22-31-9-15-35(61)16-10-31)57(87)71-43(24-33-13-19-37(20-14-33)68-59(65)89)54(84)72-44(25-34-27-66-40-7-3-2-6-38(34)40)55(85)69-41(52(82)77-49)8-4-5-21-62/h2-3,6-7,9-20,27,30,39,41-47,49,66,78H,4-5,8,21-26,28-29,62-63H2,1H3,(H2,64,80)(H,67,83)(H,69,85)(H,70,86)(H,71,87)(H,72,84)(H,73,81)(H,74,88)(H,77,82)(H3,65,68,89)(H2,75,76,79,90)/t30-,39-,41+,42+,43+,44-,45+,46-,47+,49+/m1/s1
    MOLECULAR FORMULA
    C60H73ClN16O13S2
    CROSS REFERENCES
    832856 logo

    canSAR832856

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1324.47
    AlogP -0.77
    HBond donors 21
    HBond acceptors 29
    Atoms 165
    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 canSAR832856.