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canSAR1129384
FEATURES
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NAMES
    SMILES
    NC(N)=NCCC[C@H](NC(=O)[C@@H]1C2CCCCC2CN1C(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)CCCN=C(N)N)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)O
    InChI
    InChI=1S/C59H87N19O11S2/c60-38(18-8-22-67-57(61)62)48(80)72-39(19-9-23-68-58(63)64)49(81)74-42-31-90-91-32-43(75-50(82)41(26-33-12-2-1-3-13-33)71-46(79)28-70-51(83)44-21-11-25-76(44)53(42)85)54(86)77-29-35-15-5-4-14-34(35)27-45(77)55(87)78-30-36-16-6-7-17-37(36)47(78)52(84)73-40(56(88)89)20-10-24-69-59(65)66/h1-5,12-15,36-45,47H,6-11,16-32,60H2,(H,70,83)(H,71,79)(H,72,80)(H,73,84)(H,74,81)(H,75,82)(H,88,89)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t36?,37?,38-,39+,40+,41+,42+,43+,44+,45-,47+/m1/s1
    MOLECULAR FORMULA
    C59H87N19O11S2
    CROSS REFERENCES
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    canSAR1129384

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1301.63
    AlogP -3.30
    HBond donors 21
    HBond acceptors 30
    Atoms 178
    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 canSAR1129384.