1121386 logo
canSAR1121386
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC2CCCCC2[C@H]1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC2CCCCC2[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC2CCCCC2[C@H]1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O
    InChI
    InChI=1S/C130H191N27O19/c1-80(2)64-103(150-116(162)96(138)50-20-27-57-131)126(172)153-75-88-42-12-8-38-84(88)68-107(153)129(175)156-78-91-45-15-17-47-93(91)112(156)121(167)141-71-110(159)144-102(56-26-33-63-137)125(171)152-74-87-41-11-7-37-83(87)67-106(152)128(174)155-77-90-44-14-19-49-95(90)114(155)123(169)142-72-111(160)145-104(65-81-34-4-3-5-35-81)127(173)154-76-89-43-13-9-39-85(89)69-108(154)130(176)157-79-92-46-16-18-48-94(92)113(157)122(168)140-70-109(158)143-101(55-25-32-62-136)124(170)151-73-86-40-10-6-36-82(86)66-105(151)120(166)149-100(54-24-31-61-135)119(165)148-99(53-23-30-60-134)118(164)147-98(52-22-29-59-133)117(163)146-97(115(139)161)51-21-28-58-132/h3-13,34-43,80,90-108,112-114H,14-33,44-79,131-138H2,1-2H3,(H2,139,161)(H,140,168)(H,141,167)(H,142,169)(H,143,158)(H,144,159)(H,145,160)(H,146,163)(H,147,164)(H,148,165)(H,149,166)(H,150,162)/t90?,91?,92?,93?,94?,95?,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,112-,113-,114-/m0/s1
    MOLECULAR FORMULA
    C130H191N27O19
    CROSS REFERENCES
    1121386 logo

    canSAR1121386

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2434.48
    AlogP 2.08
    HBond donors 29
    HBond acceptors 46
    Atoms 367
    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 canSAR1121386.