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canSAR500839
FEATURES
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NAMES
    SMILES
    CCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)O
    InChI
    InChI=1S/C58H112N26O13S/c1-3-5-15-34(47(89)82-40(22-14-30-74-58(69)70)52(94)84-42(32-98)54(96)97)76-46(88)35(16-6-4-2)77-53(95)41(23-24-43(62)85)83-51(93)39(21-13-29-73-57(67)68)81-50(92)38(20-12-28-72-56(65)66)80-49(91)37(18-8-10-26-60)79-48(90)36(17-7-9-25-59)78-45(87)33(75-44(86)31-61)19-11-27-71-55(63)64/h33-42,98H,3-32,59-61H2,1-2H3,(H2,62,85)(H,75,86)(H,76,88)(H,77,95)(H,78,87)(H,79,90)(H,80,91)(H,81,92)(H,82,89)(H,83,93)(H,84,94)(H,96,97)(H4,63,64,71)(H4,65,66,72)(H4,67,68,73)(H4,69,70,74)/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
    MOLECULAR FORMULA
    C58H112N26O13S
    CROSS REFERENCES
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    canSAR500839

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1412.86
    AlogP -7.24
    HBond donors 35
    HBond acceptors 39
    Atoms 210
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR500839.