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canSAR1146382
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC2CCCCC2[C@H]1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CC2CCCCC2[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(N)=O
    InChI
    InChI=1S/C82H123N17O20/c1-45(2)33-59(92-72(109)55(85)27-29-67(104)105)77(114)95-62(44-101)80(117)97-40-50-20-8-6-18-48(50)36-64(97)82(119)98-41-51-21-9-11-23-53(51)69(98)78(115)87-37-65(102)89-56(25-13-15-31-83)73(110)88-38-66(103)96-39-49-19-7-5-17-47(49)35-63(96)81(118)99-42-52-22-10-12-24-54(52)70(99)79(116)93-60(34-46(3)4)76(113)90-57(26-14-16-32-84)74(111)91-58(28-30-68(106)107)75(112)94-61(43-100)71(86)108/h5-8,17-20,45-46,51-64,69-70,100-101H,9-16,21-44,83-85H2,1-4H3,(H2,86,108)(H,87,115)(H,88,110)(H,89,102)(H,90,113)(H,91,111)(H,92,109)(H,93,116)(H,94,112)(H,95,114)(H,104,105)(H,106,107)/t51?,52?,53?,54?,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,69-,70-/m0/s1
    MOLECULAR FORMULA
    C82H123N17O20
    CROSS REFERENCES
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    canSAR1146382

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1665.91
    AlogP -2.57
    HBond donors 21
    HBond acceptors 37
    Atoms 242
    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 canSAR1146382.