canSAR1450995
FEATURES
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NAMES
    SMILES
    Nc1nc(=O)c2c([nH]1)NC[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)N2C=O.[Ca+2]
    InChI
    InChI=1S/C20H23N7O7.Ca/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);/q;+2/p-2/t12-,13+;/m1./s1
    MOLECULAR FORMULA
    C20H21CaN7O7
    CROSS REFERENCES
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    canSAR1450995
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight511.11
    AlogP-3.78
    HBond donors6
    HBond acceptors14
    Atoms56
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1450995.