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canSAR220441
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C
    InChI
    InChI=1S/C56H83N11O17/c1-28(2)23-38(62-54(81)46(32(8)69)66-52(79)41-15-12-22-67(41)55(82)45(30(5)6)65-48(75)36(57)24-34-16-18-35(70)19-17-34)50(77)64-44(29(3)4)53(80)58-26-42(71)60-40(27-68)51(78)61-37(20-21-43(72)73)49(76)59-31(7)47(74)63-39(56(83)84)25-33-13-10-9-11-14-33/h9-11,13-14,16-19,28-32,36-41,44-46,68-70H,12,15,20-27,57H2,1-8H3,(H,58,80)(H,59,76)(H,60,71)(H,61,78)(H,62,81)(H,63,74)(H,64,77)(H,65,75)(H,66,79)(H,72,73)(H,83,84)/t31-,32+,36-,37-,38-,39-,40-,41-,44-,45-,46-/m0/s1
    MOLECULAR FORMULA
    C56H83N11O17
    CROSS REFERENCES
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    canSAR220441

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1181.60
    AlogP -2.81
    HBond donors 16
    HBond acceptors 28
    Atoms 167
    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 canSAR220441.