canSAR380931
FEATURES
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NAMES
    SMILES
    CSCC[C@H]1NC(=O)CNC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(OP(=O)(O)O)cc2)NC(=O)CSC[C@H](C(N)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O
    InChI
    InChI=1S/C59H81N12O20PS2/c1-30(2)22-40-54(82)68-42(24-32-6-12-35(72)13-7-32)56(84)65-38(18-19-49(77)78)52(80)69-44(26-46(60)74)58(86)71-50(31(3)4)59(87)62-27-47(75)63-39(20-21-93-5)53(81)67-43(25-33-8-14-36(73)15-9-33)57(85)70-45(51(61)79)28-94-29-48(76)64-41(55(83)66-40)23-34-10-16-37(17-11-34)91-92(88,89)90/h6-17,30-31,38-45,50,72-73H,18-29H2,1-5H3,(H2,60,74)(H2,61,79)(H,62,87)(H,63,75)(H,64,76)(H,65,84)(H,66,83)(H,67,81)(H,68,82)(H,69,80)(H,70,85)(H,71,86)(H,77,78)(H2,88,89,90)/t38-,39-,40-,41-,42-,43-,44-,45-,50-/m1/s1
    MOLECULAR FORMULA
    C59H81N12O20PS2
    CROSS REFERENCES
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    canSAR380931
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1372.49
    AlogP-2.50
    HBond donors19
    HBond acceptors32
    Atoms175
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR380931.