canSAR735318
FEATURES
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NAMES
    SMILES
    C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O
    InChI
    InChI=1S/C61H98N22O14S2/c1-34(51(89)79-41(21-13-25-70-60(66)67)53(91)78-39(50(65)88)19-9-11-23-62)75-57(95)45-33-99-98-32-44(58(96)81-42(22-14-26-71-61(68)69)54(92)80-40(55(93)82-45)20-10-12-24-63)77-48(87)31-74-59(97)49(35(2)84)83-56(94)43(28-37-17-7-4-8-18-37)76-47(86)30-72-46(85)29-73-52(90)38(64)27-36-15-5-3-6-16-36/h3-8,15-18,34-35,38-45,49,84H,9-14,19-33,62-64H2,1-2H3,(H2,65,88)(H,72,85)(H,73,90)(H,74,97)(H,75,95)(H,76,86)(H,77,87)(H,78,91)(H,79,89)(H,80,92)(H,81,96)(H,82,93)(H,83,94)(H4,66,67,70)(H4,68,69,71)/t34-,35+,38-,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
    MOLECULAR FORMULA
    C61H98N22O14S2
    CROSS REFERENCES
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    canSAR735318
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1426.71
    AlogP-7.42
    HBond donors29
    HBond acceptors36
    Atoms197
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR735318.