464404 logo
canSAR464404
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(N)=O
    InChI
    InChI=1S/C62H90N20O10/c1-3-36(2)51(82-59(91)47(29-38-18-8-5-9-19-38)78-57(89)48(30-39-32-73-43-22-11-10-20-41(39)43)77-53(85)42(64)21-14-26-71-61(66)67)60(92)80-46(28-37-16-6-4-7-17-37)56(88)79-49(31-40-33-70-35-74-40)58(90)76-44(23-12-13-25-63)54(86)75-45(24-15-27-72-62(68)69)55(87)81-50(34-83)52(65)84/h4-11,16-20,22,32-33,35-36,42,44-51,73,83H,3,12-15,21,23-31,34,63-64H2,1-2H3,(H2,65,84)(H,70,74)(H,75,86)(H,76,90)(H,77,85)(H,78,89)(H,79,88)(H,80,92)(H,81,87)(H,82,91)(H4,66,67,71)(H4,68,69,72)/t36-,42-,44-,45-,46+,47+,48+,49-,50-,51-/m0/s1
    MOLECULAR FORMULA
    C62H90N20O10
    CROSS REFERENCES
    464404 logo

    canSAR464404

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1274.71
    AlogP -2.87
    HBond donors 25
    HBond acceptors 30
    Atoms 182
    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 canSAR464404.