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canSAR1144026
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@@H](NC(=O)[C@@H](O)Cc1ccc(O)c(Cl)c1)C(=O)N1[C@H](C(=O)NCCCCNC(=N)N)C[C@@H]2CC[C@@H](O)C[C@@H]21
    InChI
    InChI=1S/C29H45ClN6O6/c1-3-16(2)25(35-27(41)24(39)13-17-6-9-23(38)20(30)12-17)28(42)36-21-15-19(37)8-7-18(21)14-22(36)26(40)33-10-4-5-11-34-29(31)32/h6,9,12,16,18-19,21-22,24-25,37-39H,3-5,7-8,10-11,13-15H2,1-2H3,(H,33,40)(H,35,41)(H4,31,32,34)/t16-,18-,19+,21-,22-,24-,25+/m0/s1
    MOLECULAR FORMULA
    C29H45ClN6O6
    CROSS REFERENCES
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    canSAR1144026

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 608.31
    AlogP 0.99
    HBond donors 9
    HBond acceptors 12
    Atoms 87
    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 canSAR1144026.