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canSAR1144255
FEATURES
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NAMES
    SMILES
    COc1ccc2[nH]cc([C@H](CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(N)=O)c2c1
    InChI
    InChI=1S/C45H68N12O8S2/c1-27(58)53-35(14-10-20-50-45(48)49)42(62)57-38(23-28-11-6-5-7-12-28)44(64)56-36(17-21-66-3)41(61)52-26-32(31-25-51-33-16-15-29(65-2)24-30(31)33)40(60)55-37(18-22-67-4)43(63)54-34(39(47)59)13-8-9-19-46/h5-7,11-12,15-16,24-25,32,34-38,51H,8-10,13-14,17-23,26,46H2,1-4H3,(H2,47,59)(H,52,61)(H,53,58)(H,54,63)(H,55,60)(H,56,64)(H,57,62)(H4,48,49,50)/t32-,34-,35-,36-,37-,38-/m0/s1
    MOLECULAR FORMULA
    C45H68N12O8S2
    CROSS REFERENCES
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    canSAR1144255

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 968.47
    AlogP 0.45
    HBond donors 15
    HBond acceptors 20
    Atoms 135
    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 canSAR1144255.