canSAR2101736
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSC2CC[C@H](NC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)C(=O)N21)C(C)C)C(N)=O
    InChI
    InChI=1S/C67H101N19O18S2/c1-37(2)25-47(63(100)77-44(59(69)96)15-24-105-6)79-64(101)49(27-41-29-70-36-73-41)76-52(88)30-72-66(103)58(38(3)4)81-60(97)39(5)74-62(99)48(26-40-28-71-43-10-8-7-9-42(40)43)80-61(98)45(11-13-51(68)87)78-65(102)50-35-106-54-14-12-46(67(104)86(50)54)75-53(89)31-82-16-18-83(32-55(90)91)20-22-85(34-57(94)95)23-21-84(19-17-82)33-56(92)93/h7-10,28-29,36-39,44-50,54,58,71H,11-27,30-35H2,1-6H3,(H2,68,87)(H2,69,96)(H,70,73)(H,72,103)(H,74,99)(H,75,89)(H,76,88)(H,77,100)(H,78,102)(H,79,101)(H,80,98)(H,81,97)(H,90,91)(H,92,93)(H,94,95)/t39-,44-,45-,46-,47-,48-,49-,50-,54?,58-/m0/s1
    MOLECULAR FORMULA
    C67H101N19O18S2
    CROSS REFERENCES
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    canSAR2101736
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1523.70
    AlogP-4.56
    HBond donors18
    HBond acceptors37
    Atoms207
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2101736.