canSAR823917
FEATURES
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NAMES
    SMILES
    C[C@]12CC[C@@H]3c4ccc(OCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O
    InChI
    InChI=1S/C50H74N14O18/c1-50-13-12-27-26-9-7-25(16-24(26)6-8-28(27)29(50)10-11-36(50)67)82-23-39(70)59-30(4-2-14-55-48(51)52)42(75)57-19-37(68)60-32(17-40(71)72)44(77)63-34(21-65)46(79)62-31(5-3-15-56-49(53)54)43(76)58-20-38(69)61-33(18-41(73)74)45(78)64-35(22-66)47(80)81/h7,9,16,27-35,65-66H,2-6,8,10-15,17-23H2,1H3,(H,57,75)(H,58,76)(H,59,70)(H,60,68)(H,61,69)(H,62,79)(H,63,77)(H,64,78)(H,71,72)(H,73,74)(H,80,81)(H4,51,52,55)(H4,53,54,56)/t27-,28-,29+,30+,31+,32+,33+,34+,35+,50+/m1/s1
    MOLECULAR FORMULA
    C50H74N14O18
    CROSS REFERENCES
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    canSAR823917
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1158.53
    AlogP-5.82
    HBond donors21
    HBond acceptors32
    Atoms156
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823917.