canSAR389308
FEATURES
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NAMES
    SMILES
    CC(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)O)C(C)C
    InChI
    InChI=1S/C63H87N13O16S2/c1-33(2)51(63(91)92)74-60(88)48(32-94)73-57(85)45(28-37-19-21-39(78)22-20-37)69-55(83)43(17-10-11-25-64)68-58(86)46(29-38-30-66-42-16-9-8-15-40(38)42)71-56(84)44(27-36-13-6-5-7-14-36)70-59(87)47(31-93)72-53(81)34(3)67-61(89)49-18-12-26-76(49)62(90)52(35(4)77)75-54(82)41(65)23-24-50(79)80/h5-9,13-16,19-22,30,33-35,41,43-49,51-52,66,77-78,93-94H,10-12,17-18,23-29,31-32,64-65H2,1-4H3,(H,67,89)(H,68,86)(H,69,83)(H,70,87)(H,71,84)(H,72,81)(H,73,85)(H,74,88)(H,75,82)(H,79,80)(H,91,92)/t34?,35-,41+,43+,44+,45+,46+,47+,48+,49-,51+,52+/m1/s1
    MOLECULAR FORMULA
    C63H87N13O16S2
    CROSS REFERENCES
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    canSAR389308
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1345.58
    AlogP-1.42
    HBond donors18
    HBond acceptors29
    Atoms181
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR389308.