canSAR738693
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(N)=O)C(=O)O
    InChI
    InChI=1S/C64H97N17O26/c1-29(2)22-38(57(99)75-37(64(106)107)16-18-45(67)83)77-61(103)43(28-82)80-60(102)41(25-49(89)90)78-58(100)39(23-34-12-8-7-9-13-34)76-54(96)32(5)69-52(94)31(4)70-56(98)35(14-10-20-65)74-53(95)33(6)71-62(104)44-15-11-21-81(44)63(105)42(26-50(91)92)79-59(101)40(24-48(87)88)72-46(84)27-68-55(97)36(17-19-47(85)86)73-51(93)30(3)66/h7-9,12-13,29-33,35-44,82H,10-11,14-28,65-66H2,1-6H3,(H2,67,83)(H,68,97)(H,69,94)(H,70,98)(H,71,104)(H,72,84)(H,73,93)(H,74,95)(H,75,99)(H,76,96)(H,77,103)(H,78,100)(H,79,101)(H,80,102)(H,85,86)(H,87,88)(H,89,90)(H,91,92)(H,106,107)/t30-,31-,32-,33-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
    MOLECULAR FORMULA
    C64H97N17O26
    CROSS REFERENCES
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    canSAR738693
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1519.68
    AlogP-9.02
    HBond donors25
    HBond acceptors43
    Atoms204
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR738693.