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canSAR1147254
FEATURES
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NAMES
    SMILES
    CC(C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC1=O
    InChI
    InChI=1S/C56H81N21O14S2/c1-26(2)44-54(90)71-35(11-12-41(58)78)50(86)74-39(17-43(80)81)53(89)72-36(14-28-18-65-33-9-6-5-8-31(28)33)48(84)66-21-42(79)69-37(15-29-19-62-24-67-29)51(87)73-38(16-30-20-63-25-68-30)52(88)70-34(10-7-13-64-56(60)61)49(85)75-40(46(59)82)23-93-92-22-32(57)47(83)76-45(27(3)4)55(91)77-44/h5-6,8-9,18-20,24-27,32,34-40,44-45,65H,7,10-17,21-23,57H2,1-4H3,(H2,58,78)(H2,59,82)(H,62,67)(H,63,68)(H,66,84)(H,69,79)(H,70,88)(H,71,90)(H,72,89)(H,73,87)(H,74,86)(H,75,85)(H,76,83)(H,77,91)(H,80,81)(H4,60,61,64)/t32-,34-,35-,36-,37-,38-,39-,40-,44-,45-/m0/s1
    MOLECULAR FORMULA
    C56H81N21O14S2
    CROSS REFERENCES
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    canSAR1147254

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1335.57
    AlogP -5.36
    HBond donors 24
    HBond acceptors 35
    Atoms 174
    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 canSAR1147254.