canSAR2094227
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCOCCOCCN)C(=O)N[C@@H](CC(C)C)C(=O)O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C45H78N14O11.4C2HF3O2/c1-5-28(4)36(40(64)56-34(42(66)67)25-27(2)3)57-38(62)33(26-29-12-14-30(60)15-13-29)55-39(63)35-11-8-20-59(35)41(65)32(10-7-17-51-43(48)49)54-37(61)31(47)9-6-18-52-44(50)58-45(68)53-19-22-70-24-23-69-21-16-46;4*3-2(4,5)1(6)7/h12-15,27-28,31-36,60H,5-11,16-26,46-47H2,1-4H3,(H,54,61)(H,55,63)(H,56,64)(H,57,62)(H,66,67)(H4,48,49,51)(H4,50,52,53,58,68);4*(H,6,7)/t28-,31-,32-,33-,34-,35-,36-;;;;/m0..../s1
    MOLECULAR FORMULA
    C53H82F12N14O19
    CROSS REFERENCES
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    canSAR2094227
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1446.57
    AlogP0.55
    HBond donors22
    HBond acceptors33
    Atoms180
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2094227.