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canSAR829451
FEATURES
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NAMES
    SMILES
    CC(C)C[C@@H]1NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)CSSC[C@@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(N)=O)NC1=O
    InChI
    InChI=1S/C40H66N14O18S2/c1-16(2)9-21-35(68)53-24(33(66)46-12-26(57)47-19(31(42)64)6-7-27(58)59)14-73-74-15-25(52-32(65)18(41)10-28(60)61)38(71)48-20(5-4-8-45-40(43)44)34(67)51-23(13-55)37(70)49-22(11-29(62)63)36(69)54-30(17(3)56)39(72)50-21/h16-25,30,55-56H,4-15,41H2,1-3H3,(H2,42,64)(H,46,66)(H,47,57)(H,48,71)(H,49,70)(H,50,72)(H,51,67)(H,52,65)(H,53,68)(H,54,69)(H,58,59)(H,60,61)(H,62,63)(H4,43,44,45)/t17-,18+,19+,20+,21+,22+,23-,24+,25+,30-/m1/s1
    MOLECULAR FORMULA
    C40H66N14O18S2
    CROSS REFERENCES
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    canSAR829451

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1094.41
    AlogP -8.52
    HBond donors 22
    HBond acceptors 32
    Atoms 140
    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 canSAR829451.