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canSAR1147327
FEATURES
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NAMES
    SMILES
    CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC(C2CCCC2)(C2CCCC2)SSC[C@@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O
    InChI
    InChI=1S/C54H77N11O10S2/c1-32(2)45-50(72)62-40(29-43(55)66)47(69)63-41(51(73)65-26-14-24-42(65)49(71)60-37(52(74)75)23-13-25-58-53(56)57)31-76-77-54(35-19-9-10-20-35,36-21-11-12-22-36)30-44(67)59-38(27-33-15-5-3-6-16-33)46(68)61-39(48(70)64-45)28-34-17-7-4-8-18-34/h3-8,15-18,32,35-42,45H,9-14,19-31H2,1-2H3,(H2,55,66)(H,59,67)(H,60,71)(H,61,68)(H,62,72)(H,63,69)(H,64,70)(H,74,75)(H4,56,57,58)/t37-,38+,39-,40-,41-,42+,45-/m0/s1
    MOLECULAR FORMULA
    C54H77N11O10S2
    CROSS REFERENCES
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    canSAR1147327

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1103.53
    AlogP 1.95
    HBond donors 13
    HBond acceptors 21
    Atoms 154
    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 canSAR1147327.