canSAR818897
FEATURES
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NAMES
    SMILES
    C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@H](C)CC)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C(C)C)[C@H](C)CC)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@H](C)CC)[C@H](C)OC(=O)[C@H](C(C)C)NC1=O
    InChI
    InChI=1S/C78H129N15O17/c1-22-44(17)59(88-64(95)43(15)16)72(103)84-56(40(9)10)71(102)91-62(47(20)94)75(106)85-55(39(7)8)70(101)86-57(41(11)12)77(108)93-36-30-34-53(93)68(99)81-51(33-29-35-79)66(97)89-60(45(18)23-2)74(105)92-63-48(21)110-78(109)58(42(13)14)87-65(96)50(25-4)80-67(98)52(37-49-31-27-26-28-32-49)82-69(100)54(38(5)6)83-73(104)61(46(19)24-3)90-76(63)107/h25-28,31-32,38-48,51-63,94H,22-24,29-30,33-37,79H2,1-21H3,(H,80,98)(H,81,99)(H,82,100)(H,83,104)(H,84,103)(H,85,106)(H,86,101)(H,87,96)(H,88,95)(H,89,97)(H,90,107)(H,91,102)(H,92,105)/b50-25-/t44-,45-,46-,47-,48+,51+,52+,53-,54-,55+,56-,57-,58+,59-,60-,61-,62+,63-/m1/s1
    MOLECULAR FORMULA
    C78H129N15O17
    CROSS REFERENCES
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    canSAR818897
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1547.97
    AlogP1.20
    HBond donors16
    HBond acceptors32
    Atoms239
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR818897.