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canSAR1147222
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O
    InChI
    InChI=1S/C54H69N11O18/c1-28(57-31(4)67)46(74)56-27-42(69)58-29(2)47(75)60-37(23-33-16-10-6-11-17-33)52(80)65-45(30(3)66)53(81)63-36(22-32-14-8-5-9-15-32)49(77)61-38(25-41(55)68)50(78)59-35(20-21-43(70)71)48(76)62-39(26-44(72)73)51(79)64-40(54(82)83)24-34-18-12-7-13-19-34/h5-19,28-30,35-40,45,66H,20-27H2,1-4H3,(H2,55,68)(H,56,74)(H,57,67)(H,58,69)(H,59,78)(H,60,75)(H,61,77)(H,62,76)(H,63,81)(H,64,79)(H,65,80)(H,70,71)(H,72,73)(H,82,83)/t28-,29-,30+,35-,36-,37-,38-,39-,40-,45-/m0/s1
    MOLECULAR FORMULA
    C54H69N11O18
    CROSS REFERENCES
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    canSAR1147222

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1159.48
    AlogP -4.07
    HBond donors 16
    HBond acceptors 29
    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 canSAR1147222.