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canSAR1147143
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN=C(N)N)N(C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(=O)O)C1=O)C(=O)O
    InChI
    InChI=1S/C78H116N20O21/c1-41(2)34-52(91-65(106)47(81)25-27-63(102)103)67(108)92-53(36-43-21-23-45(99)24-22-43)68(109)88-49(26-28-64(104)105)66(107)93-55(38-61(82)100)70(111)89-50(16-7-9-29-79)74(115)97-33-13-20-60(97)76(117)98-59(18-11-31-85-78(83)84)72(113)90-51(17-8-10-30-80)73(114)96-32-12-19-58(96)71(112)94-54(37-44-40-86-48-15-6-5-14-46(44)48)69(110)95-56(75(98)116)39-62(101)87-57(77(118)119)35-42(3)4/h5-6,14-15,21-24,40-42,47,49-60,86,99H,7-13,16-20,25-39,79-81H2,1-4H3,(H2,82,100)(H,87,101)(H,88,109)(H,89,111)(H,90,113)(H,91,106)(H,92,108)(H,93,107)(H,94,112)(H,95,110)(H,102,103)(H,104,105)(H,118,119)(H4,83,84,85)/t47-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59+,60-/m0/s1
    MOLECULAR FORMULA
    C78H116N20O21
    CROSS REFERENCES
    1147143 logo

    canSAR1147143

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1668.86
    AlogP -3.45
    HBond donors 26
    HBond acceptors 41
    Atoms 235
    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 canSAR1147143.