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canSAR1131243
FEATURES
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NAMES
    SMILES
    NCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O
    InChI
    InChI=1S/C45H64N14O11S2/c46-16-14-29-39(65)57-32(22-35(47)61)42(68)58-33(44(70)59-18-5-9-34(59)43(69)55-28(8-4-17-51-45(49)50)38(64)52-23-36(48)62)24-72-71-19-15-37(63)53-30(21-26-10-12-27(60)13-11-26)40(66)56-31(41(67)54-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,60H,4-5,8-9,14-24,46H2,(H2,47,61)(H2,48,62)(H,52,64)(H,53,63)(H,54,67)(H,55,69)(H,56,66)(H,57,65)(H,58,68)(H4,49,50,51)/t28-,29-,30-,31-,32-,33-,34-/m0/s1
    MOLECULAR FORMULA
    C45H64N14O11S2
    CROSS REFERENCES
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    canSAR1131243

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1040.43
    AlogP -4.26
    HBond donors 18
    HBond acceptors 25
    Atoms 136
    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 canSAR1131243.