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canSAR1014654
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CSCc2ccc(cn2)-c2ccc(nc2)CSC[C@@H](C(=O)N[C@@H](CO)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC1=O)[C@@H](C)O
    InChI
    InChI=1S/C82H112N22O16S2/c1-43(2)31-60(94-47(7)107)76(116)104-68(46(6)106)80(120)99-62(32-48-15-9-8-10-16-48)75(115)101-65-41-121-39-53-25-23-50(35-90-53)51-24-26-54(91-36-51)40-122-42-66(78(118)100-64(38-105)69(83)109)102-79(119)67(44(3)4)103-72(112)59(20-14-30-89-82(86)87)95-70(110)45(5)93-73(113)63(34-52-37-92-57-18-12-11-17-56(52)57)98-74(114)61(33-49-21-27-55(108)28-22-49)97-71(111)58(96-77(65)117)19-13-29-88-81(84)85/h8-12,15-18,21-28,35-37,43-46,58-68,92,105-106,108H,13-14,19-20,29-34,38-42H2,1-7H3,(H2,83,109)(H,93,113)(H,94,107)(H,95,110)(H,96,117)(H,97,111)(H,98,114)(H,99,120)(H,100,118)(H,101,115)(H,102,119)(H,103,112)(H,104,116)(H4,84,85,88)(H4,86,87,89)/t45-,46+,58-,59-,60-,61-,62-,63-,64-,65+,66-,67-,68-/m0/s1
    MOLECULAR FORMULA
    C82H112N22O16S2
    CROSS REFERENCES
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    canSAR1014654

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1724.81
    AlogP -1.52
    HBond donors 26
    HBond acceptors 38
    Atoms 234
    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 canSAR1014654.