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canSAR1860453
FEATURES
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NAMES
    SMILES
    CSCCC1NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(C)=O)CSSCC(C(N)=O)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC1=O
    InChI
    InChI=1S/C58H97N21O13S3/c1-30(2)25-39-47(84)69-27-44(82)71-36(12-8-21-67-57(62)63)50(87)78-45(31(3)4)54(91)75-40(26-33-15-17-34(81)18-16-33)51(88)73-38(13-9-22-68-58(64)65)55(92)79-23-10-14-43(79)53(90)76-41(46(59)83)28-94-95-29-42(52(89)72-37(19-24-93-6)49(86)74-39)77-48(85)35(70-32(5)80)11-7-20-66-56(60)61/h15-18,30-31,35-43,45,81H,7-14,19-29H2,1-6H3,(H2,59,83)(H,69,84)(H,70,80)(H,71,82)(H,72,89)(H,73,88)(H,74,86)(H,75,91)(H,76,90)(H,77,85)(H,78,87)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)
    MOLECULAR FORMULA
    C58H97N21O13S3
    CROSS REFERENCES
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    canSAR1860453

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1391.67
    AlogP -5.08
    HBond donors 25
    HBond acceptors 34
    Atoms 192
    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 canSAR1860453.