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canSAR1633208
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCS(C)(=O)=O)NC1=O
    InChI
    InChI=1S/C49H72N16O11S/c1-28(66)59-34(16-9-22-56-48(51)52)42(69)62-36-18-19-40(67)55-21-8-15-33(41(50)68)60-47(74)39(26-30-27-58-32-14-7-6-13-31(30)32)65-43(70)35(17-10-23-57-49(53)54)61-46(73)38(25-29-11-4-3-5-12-29)64-45(72)37(63-44(36)71)20-24-77(2,75)76/h3-7,11-14,27,33-39,58H,8-10,15-26H2,1-2H3,(H2,50,68)(H,55,67)(H,59,66)(H,60,74)(H,61,73)(H,62,69)(H,63,71)(H,64,72)(H,65,70)(H4,51,52,56)(H4,53,54,57)/t33-,34-,35-,36-,37-,38+,39-/m0/s1
    MOLECULAR FORMULA
    C49H72N16O11S
    CROSS REFERENCES
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    canSAR1633208

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1092.53
    AlogP -3.50
    HBond donors 19
    HBond acceptors 27
    Atoms 149
    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 canSAR1633208.