canSAR1648671
FEATURES
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NAMES
    SMILES
    CC(C)CCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H]([C@@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)c2ccccc2N)C(=O)O[C@@H]1C
    InChI
    InChI=1S/C76H109N17O26/c1-38(2)19-12-10-8-6-7-9-11-13-25-57(97)85-48(28-42-34-80-46-23-17-15-20-43(42)46)70(112)88-49(30-56(79)96)71(113)90-52(33-63(106)107)72(114)93-65-41(5)119-76(118)53(29-55(95)44-21-14-16-22-45(44)78)91-75(117)64(39(3)27-60(100)101)92-73(115)54(37-94)86-59(99)35-81-67(109)50(31-61(102)103)87-66(108)40(4)83-69(111)51(32-62(104)105)89-68(110)47(24-18-26-77)84-58(98)36-82-74(65)116/h14-17,20-23,34,38-41,47-54,64-65,80,94H,6-13,18-19,24-33,35-37,77-78H2,1-5H3,(H2,79,96)(H,81,109)(H,82,116)(H,83,111)(H,84,98)(H,85,97)(H,86,99)(H,87,108)(H,88,112)(H,89,110)(H,90,113)(H,91,117)(H,92,115)(H,93,114)(H,100,101)(H,102,103)(H,104,105)(H,106,107)/t39-,40+,41+,47-,48-,49-,50-,51+,52-,53-,54+,64-,65-/m0/s1
    MOLECULAR FORMULA
    C76H109N17O26
    CROSS REFERENCES
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    canSAR1648671
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1675.77
    AlogP-4.21
    HBond donors25
    HBond acceptors43
    Atoms228
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1648671.