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canSAR777988
FEATURES
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NAMES
    SMILES
    C[C@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O
    InChI
    InChI=1S/C63H75N11O12S2/c1-37(75)54-62(84)71-50(32-40-19-9-4-10-20-40)59(81)73-53(63(85)86)36-88-87-35-52(72-55(77)45(65)29-41-24-26-43(76)27-25-41)61(83)69-49(31-39-17-7-3-8-18-39)57(79)68-48(30-38-15-5-2-6-16-38)58(80)70-51(33-42-34-66-46-22-12-11-21-44(42)46)60(82)67-47(56(78)74-54)23-13-14-28-64/h2-12,15-22,24-27,34,37,45,47-54,66,75-76H,13-14,23,28-33,35-36,64-65H2,1H3,(H,67,82)(H,68,79)(H,69,83)(H,70,80)(H,71,84)(H,72,77)(H,73,81)(H,74,78)(H,85,86)/t37-,45+,47-,48-,49+,50-,51+,52+,53-,54-/m0/s1
    MOLECULAR FORMULA
    C63H75N11O12S2
    CROSS REFERENCES
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    canSAR777988

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1241.50
    AlogP 1.58
    HBond donors 16
    HBond acceptors 23
    Atoms 163
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR777988.