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canSAR1142155
FEATURES
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NAMES
    SMILES
    CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC1=O
    InChI
    InChI=1S/C84H134N26O15/c1-47(2)42-63-76(119)103-59(28-12-16-36-87)73(116)100-58(27-11-15-35-86)71(114)101-61(30-18-38-93-83(89)90)74(117)102-62(31-19-39-94-84(91)92)75(118)106-64(43-51-45-95-55-24-8-6-22-53(51)55)77(120)104-60(29-13-17-37-88)72(115)99-57(26-10-14-34-85)70(113)97-48(3)69(112)98-49(4)81(124)110-41-21-33-67(110)82(125)109-40-20-32-66(109)79(122)108-68(50(5)111)80(123)107-65(78(121)105-63)44-52-46-96-56-25-9-7-23-54(52)56/h6-9,22-25,45-50,57-68,95-96,111H,10-21,26-44,85-88H2,1-5H3,(H,97,113)(H,98,112)(H,99,115)(H,100,116)(H,101,114)(H,102,117)(H,103,119)(H,104,120)(H,105,121)(H,106,118)(H,107,123)(H,108,122)(H4,89,90,93)(H4,91,92,94)/t48-,49-,50+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67+,68-/m0/s1
    MOLECULAR FORMULA
    C84H134N26O15
    CROSS REFERENCES
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    canSAR1142155

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1747.05
    AlogP -3.24
    HBond donors 31
    HBond acceptors 41
    Atoms 259
    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 canSAR1142155.