canSAR1089933
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](CO)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](CO)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/C65H92N16O18/c1-33(2)24-45(75-58(92)47(74-55(89)42(66)30-82)27-38-28-70-43-11-7-6-10-41(38)43)56(90)78-49(31-83)60(94)77-48(26-37-16-20-40(86)21-17-37)63(97)81-23-9-13-51(81)61(95)71-29-52(87)72-35(5)54(88)80-53(34(3)4)62(96)79-50(32-84)59(93)76-46(25-36-14-18-39(85)19-15-36)57(91)73-44(64(98)99)12-8-22-69-65(67)68/h6-7,10-11,14-21,28,33-35,42,44-51,53,70,82-86H,8-9,12-13,22-27,29-32,66H2,1-5H3,(H,71,95)(H,72,87)(H,73,91)(H,74,89)(H,75,92)(H,76,93)(H,77,94)(H,78,90)(H,79,96)(H,80,88)(H,98,99)(H4,67,68,69)/t35-,42-,44-,45-,46-,47-,48-,49-,50-,51-,53-/m0/s1
    MOLECULAR FORMULA
    C65H92N16O18
    CROSS REFERENCES
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    canSAR1089933
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1384.68
    AlogP-4.55
    HBond donors23
    HBond acceptors34
    Atoms191
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1089933.