canSAR2095870
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O)[C@@H](C)O
    InChI
    InChI=1S/C79H138N20O22S/c1-15-42(6)60(96-79(121)64(48(12)104)99-78(120)61(45(9)101)87-49(13)105)75(117)84-38-59(106)88-51(27-19-22-31-80)69(111)91-54(30-34-122-14)71(113)98-63(47(11)103)77(119)93-55(35-40(2)3)72(114)89-52(28-20-23-32-81)68(110)86-43(7)66(108)85-44(8)67(109)92-57(37-50-25-17-16-18-26-50)74(116)90-53(29-21-24-33-82)70(112)97-62(46(10)102)76(118)94-56(36-41(4)5)73(115)95-58(39-100)65(83)107/h16-18,25-26,40-48,51-58,60-64,100-104H,15,19-24,27-39,80-82H2,1-14H3,(H2,83,107)(H,84,117)(H,85,108)(H,86,110)(H,87,105)(H,88,106)(H,89,114)(H,90,116)(H,91,111)(H,92,109)(H,93,119)(H,94,118)(H,95,115)(H,96,121)(H,97,112)(H,98,113)(H,99,120)/t42-,43-,44-,45+,46+,47+,48+,51-,52-,53-,54-,55-,56-,57-,58-,60-,61-,62-,63-,64-/m0/s1
    MOLECULAR FORMULA
    C79H138N20O22S
    CROSS REFERENCES
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    canSAR2095870
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1751.00
    AlogP-7.04
    HBond donors29
    HBond acceptors42
    Atoms260
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095870.