canSAR293324
FEATURES
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NAMES
    SMILES
    CC(=O)Nc1ccc(C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(C)=O)C(=O)N[C@H](Cc2ccc(NC(C)=O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@@H]2C(=O)NC(C(N)=O)N(C)C=O)cc1
    InChI
    InChI=1S/C81H103ClN16O15/c1-47(2)37-63(73(105)89-62(18-11-12-35-85-48(3)4)81(113)98-36-14-19-70(98)80(112)96-72(71(83)104)97(8)46-100)90-75(107)66(40-53-23-30-60(31-24-53)86-49(5)101)92-77(109)67(41-54-25-32-61(33-26-54)87-50(6)102)94-79(111)69(45-99)95-78(110)68(43-56-15-13-34-84-44-56)93-76(108)65(39-52-21-28-59(82)29-22-52)91-74(106)64(88-51(7)103)42-55-20-27-57-16-9-10-17-58(57)38-55/h9-10,13,15-17,20-34,38,44,46-48,62-70,72,85,99H,11-12,14,18-19,35-37,39-43,45H2,1-8H3,(H2,83,104)(H,86,101)(H,87,102)(H,88,103)(H,89,105)(H,90,107)(H,91,106)(H,92,109)(H,93,108)(H,94,111)(H,95,110)(H,96,112)/t62-,63-,64+,65+,66+,67-,68+,69-,70+,72?/m0/s1
    MOLECULAR FORMULA
    C81H103ClN16O15
    CROSS REFERENCES
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    canSAR293324
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1574.75
    AlogP2.43
    HBond donors15
    HBond acceptors31
    Atoms216
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR293324.