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canSAR785413
FEATURES
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NAMES
    SMILES
    C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(NC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O
    InChI
    InChI=1S/C62H74ClN15O13S2/c1-32(79)51-60(89)75-49(58(87)71-44(52(66)81)28-36-9-16-37-6-2-3-7-38(37)24-36)31-93-92-30-48(74-53(82)42(65)25-33-10-17-39(63)18-11-33)59(88)73-46(27-34-12-19-40(20-13-34)68-55(84)47-29-50(80)77-62(91)76-47)57(86)72-45(26-35-14-21-41(22-15-35)69-61(67)90)56(85)70-43(54(83)78-51)8-4-5-23-64/h2-3,6-7,9-22,24,32,42-49,51,79H,4-5,8,23,25-31,64-65H2,1H3,(H2,66,81)(H,68,84)(H,70,85)(H,71,87)(H,72,86)(H,73,88)(H,74,82)(H,75,89)(H,78,83)(H3,67,69,90)(H2,76,77,80,91)/t32-,42-,43+,44+,45-,46+,47+,48-,49+,51+/m1/s1
    MOLECULAR FORMULA
    C62H74ClN15O13S2
    CROSS REFERENCES
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    canSAR785413

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1335.47
    AlogP -0.10
    HBond donors 20
    HBond acceptors 28
    Atoms 167
    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 canSAR785413.