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canSAR668488
FEATURES
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NAMES
    SMILES
    C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N(C)[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O)[C@@H](C)O
    InChI
    InChI=1S/C47H90N20O14/c1-23(50)37(73)60-29(14-11-21-58-47(55)56)41(77)66-35(26(4)70)45(81)67(5)32(15-7-9-19-49)43(79)63-30(16-17-33(51)71)42(78)65-34(25(3)69)44(80)59-24(2)38(74)61-28(13-10-20-57-46(53)54)39(75)62-27(12-6-8-18-48)40(76)64-31(22-68)36(52)72/h23-32,34-35,68-70H,6-22,48-50H2,1-5H3,(H2,51,71)(H2,52,72)(H,59,80)(H,60,73)(H,61,74)(H,62,75)(H,63,79)(H,64,76)(H,65,78)(H,66,77)(H4,53,54,57)(H4,55,56,58)/t23-,24-,25+,26+,27-,28-,29-,30-,31-,32-,34-,35-/m0/s1
    MOLECULAR FORMULA
    C47H90N20O14
    CROSS REFERENCES
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    canSAR668488

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1158.69
    AlogP -9.65
    HBond donors 29
    HBond acceptors 34
    Atoms 171
    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 canSAR668488.