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canSAR785888
FEATURES
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NAMES
    SMILES
    CSCC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1CSSC[C@@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC1=O
    InChI
    InChI=1S/C45H75N15O19S3/c1-19(2)12-24-39(74)58-28(37(72)51-15-30(63)52-22(35(47)70)7-8-31(64)65)17-81-82-18-29(59-40(75)25(13-32(66)67)54-36(71)21(46)9-11-80-4)43(78)53-23(6-5-10-50-45(48)49)38(73)57-27(16-61)42(77)55-26(14-33(68)69)41(76)60-34(20(3)62)44(79)56-24/h19-29,34,61-62H,5-18,46H2,1-4H3,(H2,47,70)(H,51,72)(H,52,63)(H,53,78)(H,54,71)(H,55,77)(H,56,79)(H,57,73)(H,58,74)(H,59,75)(H,60,76)(H,64,65)(H,66,67)(H,68,69)(H4,48,49,50)/t20-,21+,22+,23+,24+,25+,26+,27-,28+,29+,34-/m1/s1
    MOLECULAR FORMULA
    C45H75N15O19S3
    CROSS REFERENCES
    785888 logo

    canSAR785888

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1225.45
    AlogP -8.29
    HBond donors 23
    HBond acceptors 34
    Atoms 157
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR785888.