canSAR855570
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCC[C@H](CC(=O)N[C@@H](C(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(OCC(=O)NCCN)cc1)C(=O)N[C@H](C(=O)N1C[C@H](O)CC1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1CC[C@H](O)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(N)=O)[C@@H](C)O)[C@H](O)CC(N)=O)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)OC(=O)[C@@H](C)CCCN
    InChI
    InChI=1S/C76H128N16O24/c1-10-11-12-13-14-15-16-17-18-19-20-23-50(116-76(114)41(4)22-21-29-77)35-56(101)85-61(44(7)94)71(109)83-42(5)67(105)84-51(33-47-24-26-49(27-25-47)115-39-58(103)81-31-30-78)68(106)87-59(40(2)3)74(112)92-38-48(97)34-52(92)69(107)88-62(45(8)95)72(110)89-63(46(9)96)75(113)91-32-28-53(98)65(91)73(111)90-64(54(99)36-55(79)100)70(108)82-37-57(102)86-60(43(6)93)66(80)104/h24-27,40-46,48,50-54,59-65,93-99H,10-23,28-39,77-78H2,1-9H3,(H2,79,100)(H2,80,104)(H,81,103)(H,82,108)(H,83,109)(H,84,105)(H,85,101)(H,86,102)(H,87,106)(H,88,107)(H,89,110)(H,90,111)/t41-,42+,43+,44+,45+,46+,48+,50+,51-,52?,53-,54+,59-,60+,61+,62+,63-,64-,65-/m0/s1
    MOLECULAR FORMULA
    C76H128N16O24
    CROSS REFERENCES
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    canSAR855570
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1648.93
    AlogP-6.10
    HBond donors25
    HBond acceptors40
    Atoms244
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR855570.