canSAR823722
FEATURES
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NAMES
    SMILES
    CC(C)C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
    InChI
    InChI=1S/C60H88N12O12/c1-33(2)29-41-53(77)67-43(31-37-17-11-9-12-18-37)59(83)71-27-15-21-45(71)55(79)70-50(36(7)8)58(82)64-40(24-26-48(62)74)52(76)66-42(30-34(3)4)54(78)68-44(32-38-19-13-10-14-20-38)60(84)72-28-16-22-46(72)56(80)69-49(35(5)6)57(81)63-39(51(75)65-41)23-25-47(61)73/h9-14,17-20,33-36,39-46,49-50H,15-16,21-32H2,1-8H3,(H2,61,73)(H2,62,74)(H,63,81)(H,64,82)(H,65,75)(H,66,76)(H,67,77)(H,68,78)(H,69,80)(H,70,79)/t39-,40-,41-,42-,43-,44-,45-,46-,49-,50-/m0/s1
    MOLECULAR FORMULA
    C60H88N12O12
    CROSS REFERENCES
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    canSAR823722
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1168.66
    AlogP0.28
    HBond donors12
    HBond acceptors24
    Atoms172
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823722.