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canSAR1125415
FEATURES
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NAMES
    SMILES
    NC(N)=NCCC[C@H](NC(=O)[C@@H]1CC2CCCCC2N1C(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)CCCN=C(N)N)C(=O)O
    InChI
    InChI=1S/C61H91N19O13/c62-39(17-8-22-69-59(63)64)50(84)74-40(18-9-23-70-60(65)66)54(88)77-25-11-21-45(77)56(90)79-32-38(82)29-46(79)52(86)72-30-49(83)73-42(26-34-12-2-1-3-13-34)51(85)76-43(33-81)55(89)78-31-37-16-5-4-14-35(37)27-48(78)57(91)80-44-20-7-6-15-36(44)28-47(80)53(87)75-41(58(92)93)19-10-24-71-61(67)68/h1-5,12-14,16,36,38-48,81-82H,6-11,15,17-33,62H2,(H,72,86)(H,73,83)(H,74,84)(H,75,87)(H,76,85)(H,92,93)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t36?,38-,39+,40-,41-,42-,43-,44?,45-,46-,47-,48+/m0/s1
    MOLECULAR FORMULA
    C61H91N19O13
    CROSS REFERENCES
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    canSAR1125415

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1297.70
    AlogP -5.08
    HBond donors 22
    HBond acceptors 32
    Atoms 184
    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 canSAR1125415.