canSAR1603133
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H](CCCCN)C(=O)N[C@]1(C)CCC/C=C\CCC[C@](C)(C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@]2(C)CCC/C=C\CCC[C@](C)(C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC2=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC1=O
    InChI
    InChI=1S/C89H151N23O16/c1-56(72(115)103-64(71(96)114)38-20-30-48-90)99-84(127)88(8)46-28-16-11-10-15-27-45-87(7,83(126)101-58(3)74(117)105-66(40-22-32-50-92)77(120)107-70(81(124)112-88)54-61-55-97-63-37-19-18-36-62(61)63)111-80(123)69(43-25-35-53-95)106-78(121)67(41-23-33-51-93)108-85(128)89(9)47-29-17-13-12-14-26-44-86(6,110-79(122)68(102-60(5)113)42-24-34-52-94)82(125)100-57(2)73(116)104-65(39-21-31-49-91)76(119)98-59(4)75(118)109-89/h10-13,18-19,36-37,55-59,64-70,97H,14-17,20-35,38-54,90-95H2,1-9H3,(H2,96,114)(H,98,119)(H,99,127)(H,100,125)(H,101,126)(H,102,113)(H,103,115)(H,104,116)(H,105,117)(H,106,121)(H,107,120)(H,108,128)(H,109,118)(H,110,122)(H,111,123)(H,112,124)/b11-10-,13-12-/t56-,57-,58-,59-,64-,65-,66-,67-,68-,69-,70-,86+,87+,88+,89+/m0/s1
    MOLECULAR FORMULA
    C89H151N23O16
    CROSS REFERENCES
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    canSAR1603133
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1798.17
    AlogP-0.28
    HBond donors30
    HBond acceptors39
    Atoms279
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1603133.