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canSAR1129835
FEATURES
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NAMES
    SMILES
    CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)NCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1
    InChI
    InChI=1S/C55H82N14O11S2/c1-4-80-36-19-17-35(18-20-36)28-38-48(74)65-39(27-34-13-7-5-8-14-34)50(76)68-46(33(2)3)52(78)66-40(29-43(57)70)49(75)67-41(32-81-82-55(30-44(71)63-38)21-9-6-10-22-55)53(79)69-26-12-16-42(69)51(77)64-37(15-11-24-61-54(58)59)47(73)62-31-45(72)60-25-23-56/h5,7-8,13-14,17-20,33,37-42,46H,4,6,9-12,15-16,21-32,56H2,1-3H3,(H2,57,70)(H,60,72)(H,62,73)(H,63,71)(H,64,77)(H,65,74)(H,66,78)(H,67,75)(H,68,76)(H4,58,59,61)/t37-,38+,39-,40-,41-,42-,46-/m0/s1
    MOLECULAR FORMULA
    C55H82N14O11S2
    CROSS REFERENCES
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    canSAR1129835

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1178.57
    AlogP -0.97
    HBond donors 16
    HBond acceptors 25
    Atoms 164
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1129835.