canSAR387242
FEATURES
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NAMES
    SMILES
    CC[C@@H](C)[C@@H](NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CS)NC(=O)[C@@H](C)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(=O)O
    InChI
    InChI=1S/C64H87N15O15S/c1-5-34(2)54(63(92)74-44(21-13-14-26-65)57(86)72-45(22-24-51(67)80)58(87)73-46(23-25-53(82)83)59(88)77-49(64(93)94)27-37-15-7-6-8-16-37)79-52(81)32-70-56(85)36(4)71-60(89)47(28-38-30-68-42-19-11-9-17-40(38)42)75-61(90)48(29-39-31-69-43-20-12-10-18-41(39)43)76-62(91)50(33-95)78-55(84)35(3)66/h6-12,15-20,30-31,34-36,44-50,54,68-69,95H,5,13-14,21-29,32-33,65-66H2,1-4H3,(H2,67,80)(H,70,85)(H,71,89)(H,72,86)(H,73,87)(H,74,92)(H,75,90)(H,76,91)(H,77,88)(H,78,84)(H,79,81)(H,82,83)(H,93,94)/t34-,35-,36-,44-,45-,46-,47-,48-,49-,50-,54-/m1/s1
    MOLECULAR FORMULA
    C64H87N15O15S
    CROSS REFERENCES
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    canSAR387242
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1337.62
    AlogP-1.16
    HBond donors20
    HBond acceptors30
    Atoms182
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR387242.