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canSAR344577
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C
    InChI
    InChI=1S/C46H68N9O16P/c1-24(2)18-30(47)40(60)55-39(26(5)6)45(65)54-34(20-27-10-8-7-9-11-27)43(63)52-33(21-28-12-14-29(15-13-28)71-72(68,69)70)42(62)53-35(22-36(48)56)44(64)51-32(19-25(3)4)41(61)49-23-37(57)50-31(46(66)67)16-17-38(58)59/h7-15,24-26,30-35,39H,16-23,47H2,1-6H3,(H2,48,56)(H,49,61)(H,50,57)(H,51,64)(H,52,63)(H,53,62)(H,54,65)(H,55,60)(H,58,59)(H,66,67)(H2,68,69,70)/t30-,31-,32-,33-,34-,35-,39-/m0/s1
    MOLECULAR FORMULA
    C46H68N9O16P
    CROSS REFERENCES
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    canSAR344577

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1033.45
    AlogP -1.13
    HBond donors 15
    HBond acceptors 25
    Atoms 140
    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 canSAR344577.