canSAR857821
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](OC(=O)OCc3ccc(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)C(C)C)cc3)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C
    InChI
    InChI=1S/C72H90N6O19/c1-39(2)34-50(77-65(86)55(74)40(3)4)64(85)76-49(28-20-21-33-73)63(84)75-48-31-29-44(30-32-48)37-91-68(89)95-58(56(45-22-14-11-15-23-45)78-62(83)46-24-16-12-17-25-46)67(88)94-51-36-72(90)61(96-66(87)47-26-18-13-19-27-47)59-70(10,52(81)35-53-71(59,38-92-53)97-43(7)80)60(82)57(93-42(6)79)54(41(51)5)69(72,8)9/h11-19,22-27,29-32,39-40,49-53,55-59,61,81,90H,20-21,28,33-38,73-74H2,1-10H3,(H,75,84)(H,76,85)(H,77,86)(H,78,83)/t49-,50-,51-,52-,53+,55+,56-,57+,58+,59-,61-,70+,71-,72+/m0/s1
    MOLECULAR FORMULA
    C72H90N6O19
    CROSS REFERENCES
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    canSAR857821
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1342.63
    AlogP6.16
    HBond donors10
    HBond acceptors25
    Atoms187
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR857821.