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canSAR732506
FEATURES
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NAMES
    SMILES
    NCOCCOCCNC(=O)c1ccc(-c2c3nc(c(-c4ccc(C(=O)NCCOCCOCN)cc4)c4[nH]c(c(-c5ccc(C(=O)NCCOCCOCN)cc5)c5nc(c(-c6ccc(C(=O)NCCOCCOCN)cc6)c6[nH]c2c2ccccc62)c2ccccc52)c2ccccc42)c2ccccc32)cc1
    InChI
    InChI=1S/C84H86N12O12/c85-49-105-45-41-101-37-33-89-81(97)57-25-17-53(18-26-57)69-73-61-9-1-2-10-62(61)74(93-73)70(54-19-27-58(28-20-54)82(98)90-34-38-102-42-46-106-50-86)76-65-13-5-6-14-66(65)78(95-76)72(56-23-31-60(32-24-56)84(100)92-36-40-104-44-48-108-52-88)80-68-16-8-7-15-67(68)79(96-80)71(77-64-12-4-3-11-63(64)75(69)94-77)55-21-29-59(30-22-55)83(99)91-35-39-103-43-47-107-51-87/h1-32,93,96H,33-52,85-88H2,(H,89,97)(H,90,98)(H,91,99)(H,92,100)/b73-69-,74-70-,75-69-,76-70-,77-71-,78-72-,79-71-,80-72-
    MOLECULAR FORMULA
    C84H86N12O12
    CROSS REFERENCES
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    canSAR732506

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1454.65
    AlogP 10.87
    HBond donors 14
    HBond acceptors 24
    Atoms 194
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR732506.