canSAR183324
FEATURES
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NAMES
    SMILES
    CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)OCc1ccccc1)C(C)C)C(C)C)C(=O)O
    InChI
    InChI=1S/C71H109N17O18S/c1-41(2)37-51(61(94)83-50(68(101)102)31-36-107-7)79-56(91)38-78-64(97)57(42(3)4)86-65(98)58(43(5)6)85-60(93)47(28-30-55(73)90)80-59(92)46(27-29-54(72)89)81-62(95)52-25-17-34-87(52)66(99)48(23-14-15-32-77-70(103)105-39-44-19-10-8-11-20-44)82-63(96)53-26-18-35-88(53)67(100)49(24-16-33-76-69(74)75)84-71(104)106-40-45-21-12-9-13-22-45/h8-13,19-22,41-43,46-53,57-58H,14-18,23-40H2,1-7H3,(H2,72,89)(H2,73,90)(H,77,103)(H,78,97)(H,79,91)(H,80,92)(H,81,95)(H,82,96)(H,83,94)(H,84,104)(H,85,93)(H,86,98)(H,101,102)(H4,74,75,76)/t46-,47-,48-,49-,50+,51-,52?,53-,57-,58+/m0/s1
    MOLECULAR FORMULA
    C71H109N17O18S
    CROSS REFERENCES
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    canSAR183324
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1519.79
    AlogP-0.35
    HBond donors19
    HBond acceptors35
    Atoms216
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR183324.