canSAR2095718
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N(C)CC(N)=O)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
    InChI
    InChI=1S/C45H69N11O12S2/c1-7-25(4)38-42(65)50-28(14-15-34(46)58)39(62)51-31(21-35(47)59)44(67)55(6)33(23-70-69-18-16-37(61)49-29(40(63)53-38)20-26-10-12-27(57)13-11-26)45(68)56-17-8-9-32(56)41(64)52-30(19-24(2)3)43(66)54(5)22-36(48)60/h10-13,24-25,28-33,38,57H,7-9,14-23H2,1-6H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,61)(H,50,65)(H,51,62)(H,52,64)(H,53,63)/t25-,28-,29-,30-,31-,32-,33-,38-/m0/s1
    MOLECULAR FORMULA
    C45H69N11O12S2
    CROSS REFERENCES
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    canSAR2095718
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1019.46
    AlogP-1.86
    HBond donors12
    HBond acceptors23
    Atoms139
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095718.