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canSAR466118
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
    InChI
    InChI=1S/C48H67N13O12/c1-4-26(2)39(45(70)58-35(22-30-24-52-25-54-30)46(71)61-19-9-13-37(61)44(69)59-36(47(72)73)21-28-10-6-5-7-11-28)60-43(68)34(20-29-14-16-31(62)17-15-29)57-40(65)27(3)55-42(67)33(12-8-18-53-48(50)51)56-41(66)32(49)23-38(63)64/h5-7,10-11,14-17,24-27,32-37,39,62H,4,8-9,12-13,18-23,49H2,1-3H3,(H,52,54)(H,55,67)(H,56,66)(H,57,65)(H,58,70)(H,59,69)(H,60,68)(H,63,64)(H,72,73)(H4,50,51,53)/t26-,27-,32-,33-,34-,35-,36-,37-,39-/m0/s1
    MOLECULAR FORMULA
    C48H67N13O12
    CROSS REFERENCES
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    canSAR466118

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1017.50
    AlogP -1.95
    HBond donors 16
    HBond acceptors 25
    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 canSAR466118.