canSAR19323
FEATURES
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NAMES
    SMILES
    CSCC[C@@H](C(N)=O)N(C=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](N)Cc1ccccc1)C(C)C
    InChI
    InChI=1S/C54H75N15O9S/c1-31(2)18-38(27-69(30-70)45(48(56)72)16-17-79-6)64-52(76)43(21-36-24-57-28-61-36)65-46(71)26-60-54(78)47(32(3)4)68-49(73)33(5)63-51(75)42(20-35-23-59-41-15-11-10-14-39(35)41)67-53(77)44(22-37-25-58-29-62-37)66-50(74)40(55)19-34-12-8-7-9-13-34/h7-15,23-25,28-33,38,40,42-45,47,59H,16-22,26-27,55H2,1-6H3,(H2,56,72)(H,57,61)(H,58,62)(H,60,78)(H,63,75)(H,64,76)(H,65,71)(H,66,74)(H,67,77)(H,68,73)/t33-,38-,40+,42-,43-,44-,45-,47-/m0/s1
    MOLECULAR FORMULA
    C54H75N15O9S
    CROSS REFERENCES
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    canSAR19323
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1109.56
    AlogP0.02
    HBond donors14
    HBond acceptors24
    Atoms154
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR19323.