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canSAR779090
FEATURES
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NAMES
    SMILES
    C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N(C)[C@H](O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@H](C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O
    InChI
    InChI=1S/C57H72N12O13S2/c1-32(70)47-54(78)63-42(26-33-13-5-3-6-14-33)50(74)65-46(55(79)80)31-84-83-30-45(64-48(72)39(59)25-35-20-22-37(71)23-21-35)53(77)62-43(27-34-15-7-4-8-16-34)52(76)68-57(82)69(2)56(81)66-44(28-36-29-60-40-18-10-9-17-38(36)40)51(75)61-41(49(73)67-47)19-11-12-24-58/h3-10,13-18,20-23,29,32,39,41-47,57,60,70-71,82H,11-12,19,24-28,30-31,58-59H2,1-2H3,(H,61,75)(H,62,77)(H,63,78)(H,64,72)(H,65,74)(H,66,81)(H,67,73)(H,68,76)(H,79,80)/t32-,39+,41-,42-,43-,44+,45-,46-,47+,57-/m1/s1
    MOLECULAR FORMULA
    C57H72N12O13S2
    CROSS REFERENCES
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    canSAR779090

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1196.48
    AlogP -0.23
    HBond donors 17
    HBond acceptors 25
    Atoms 156
    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 canSAR779090.