canSAR822653
FEATURES
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NAMES
    SMILES
    CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O
    InChI
    InChI=1S/C66H102N14O12/c1-37(2)33-47-59(85)75-49(35-43-21-13-11-14-22-43)65(91)79-31-19-27-51(79)61(87)69-42(10)56(82)78-54(40(7)8)64(90)72-46(26-18-30-68)58(84)74-48(34-38(3)4)60(86)76-50(36-44-23-15-12-16-24-44)66(92)80-32-20-28-52(80)62(88)70-41(9)55(81)77-53(39(5)6)63(89)71-45(25-17-29-67)57(83)73-47/h11-16,21-24,37-42,45-54H,17-20,25-36,67-68H2,1-10H3,(H,69,87)(H,70,88)(H,71,89)(H,72,90)(H,73,83)(H,74,84)(H,75,85)(H,76,86)(H,77,81)(H,78,82)/t41-,42-,45+,46+,47+,48+,49-,50-,51+,52+,53+,54+/m1/s1
    MOLECULAR FORMULA
    C66H102N14O12
    CROSS REFERENCES
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    canSAR822653
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1282.78
    AlogP0.24
    HBond donors14
    HBond acceptors26
    Atoms194
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR822653.