canSAR2095609
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
    InChI
    InChI=1S/C44H68N12O12S2/c1-6-23(4)36-42(66)50-27(13-14-33(46)58)38(62)51-29(18-34(47)59)39(63)53-30(44(68)56-15-7-8-31(56)40(64)52-28(16-22(2)3)37(61)49-19-35(48)60)21-70-69-20-26(45)43(67)55(5)32(41(65)54-36)17-24-9-11-25(57)12-10-24/h9-12,22-23,26-32,36,57H,6-8,13-21,45H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,61)(H,50,66)(H,51,62)(H,52,64)(H,53,63)(H,54,65)/t23-,26-,27-,28-,29-,30-,31-,32-,36-/m0/s1
    MOLECULAR FORMULA
    C44H68N12O12S2
    CROSS REFERENCES
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    canSAR2095609
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1020.45
    AlogP-3.27
    HBond donors15
    HBond acceptors24
    Atoms138
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095609.