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canSAR34518
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)C(=O)N1CCC[C@@H]1C(=O)O
    InChI
    InChI=1S/C42H62N9O20P/c1-3-21(2)35(41(65)51-18-4-5-29(51)42(66)67)50-39(63)27(13-17-34(58)59)47-38(62)26(12-16-33(56)57)48-40(64)28(19-22-6-8-23(9-7-22)71-72(68,69)70)49-37(61)25(11-14-30(44)52)46-31(53)20-45-36(60)24(43)10-15-32(54)55/h6-9,21,24-29,35H,3-5,10-20,43H2,1-2H3,(H2,44,52)(H,45,60)(H,46,53)(H,47,62)(H,48,64)(H,49,61)(H,50,63)(H,54,55)(H,56,57)(H,58,59)(H,66,67)(H2,68,69,70)/t21-,24-,25-,26-,27-,28-,29+,35-/m0/s1
    MOLECULAR FORMULA
    C42H62N9O20P
    CROSS REFERENCES
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    canSAR34518

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1043.38
    AlogP -3.45
    HBond donors 16
    HBond acceptors 29
    Atoms 134
    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 canSAR34518.