canSAR1087199
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C
    InChI
    InChI=1S/C65H92N16O16/c1-33(2)26-47(78-60(92)49(77-57(89)44(66)32-82)29-40-30-70-45-13-9-8-12-43(40)45)58(90)73-36(6)55(87)79-50(28-39-18-22-42(84)23-19-39)63(95)81-25-11-15-51(81)61(93)71-31-52(85)72-35(5)56(88)80-53(34(3)4)62(94)74-37(7)54(86)76-48(27-38-16-20-41(83)21-17-38)59(91)75-46(64(96)97)14-10-24-69-65(67)68/h8-9,12-13,16-23,30,33-37,44,46-51,53,70,82-84H,10-11,14-15,24-29,31-32,66H2,1-7H3,(H,71,93)(H,72,85)(H,73,90)(H,74,94)(H,75,91)(H,76,86)(H,77,89)(H,78,92)(H,79,87)(H,80,88)(H,96,97)(H4,67,68,69)/t35-,36-,37-,44-,46-,47-,48-,49-,50-,51-,53-/m0/s1
    MOLECULAR FORMULA
    C65H92N16O16
    CROSS REFERENCES
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    canSAR1087199
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1352.69
    AlogP-2.49
    HBond donors21
    HBond acceptors32
    Atoms189
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087199.