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canSAR1143828
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O
    InChI
    InChI=1S/C50H72IN15O12S2/c1-3-25(2)40-48(77)60-31(14-16-38(53)68)44(73)63-34(22-39(54)69)45(74)64-35(24-80-79-23-29(52)42(71)62-33(46(75)65-40)20-26-9-5-4-6-10-26)49(78)66-18-8-12-36(66)47(76)59-30(11-7-17-58-50(56)57)43(72)61-32(41(55)70)21-27-13-15-37(67)28(51)19-27/h4-6,9-10,13,15,19,25,29-36,40,67H,3,7-8,11-12,14,16-18,20-24,52H2,1-2H3,(H2,53,68)(H2,54,69)(H2,55,70)(H,59,76)(H,60,77)(H,61,72)(H,62,71)(H,63,73)(H,64,74)(H,65,75)(H4,56,57,58)/t25-,29+,30-,31+,32-,33+,34-,35-,36+,40-/m0/s1
    MOLECULAR FORMULA
    C50H72IN15O12S2
    CROSS REFERENCES
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    canSAR1143828

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1265.40
    AlogP -3.39
    HBond donors 20
    HBond acceptors 27
    Atoms 152
    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 canSAR1143828.