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canSAR83035
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(=O)O
    InChI
    InChI=1S/C53H100N22O13/c1-27(2)39(50(87)88)74-47(84)36(19-13-25-65-53(61)62)73-44(81)33(16-8-10-22-55)70-43(80)32(15-7-9-21-54)71-46(83)35(18-12-24-64-52(59)60)72-45(82)34(17-11-23-63-51(57)58)69-42(79)30(5)67-40(77)28(3)66-41(78)29(4)68-48(85)37-20-14-26-75(37)49(86)38(56)31(6)76/h27-39,76H,7-26,54-56H2,1-6H3,(H,66,78)(H,67,77)(H,68,85)(H,69,79)(H,70,80)(H,71,83)(H,72,82)(H,73,81)(H,74,84)(H,87,88)(H4,57,58,63)(H4,59,60,64)(H4,61,62,65)/t28-,29-,30-,31+,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1
    MOLECULAR FORMULA
    C53H100N22O13
    CROSS REFERENCES
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    canSAR83035

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1252.78
    AlogP -7.10
    HBond donors 29
    HBond acceptors 35
    Atoms 188
    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 canSAR83035.