canSAR1407119
FEATURES
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NAMES
    SMILES
    C[C@@]1(CC(=O)O)C2=Cc3c(CC(=O)O)c(CCC(=O)O)c4n3[Co+2]35N2C(=C[C@H]2N3C(=C(CCC(=O)O)[C@]2(C)CC(=O)O)C=c2c(CC(=O)O)c(CCC(=O)O)c(n25)=C4)[C@H]1CCC(=O)O
    InChI
    InChI=1S/C42H44N4O16.Co/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29;/h13-16,24,32H,3-12,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62);/q-4;+6/b25-13-,27-14-,30-16-,31-15-;/t24-,32-,41+,42+;/m1./s1
    MOLECULAR FORMULA
    C42H44CoN4O16+2
    CROSS REFERENCES
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    canSAR1407119
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight919.21
    AlogP1.54
    HBond donors8
    HBond acceptors20
    Atoms107
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1407119.