canSAR820787
FEATURES
Loading...
NAMES
    SMILES
    NCCCNCCCNC(=O)[C@H]1NC(=O)[C@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H]4NC(=O)[C@@H](Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)[C@H]2O)NC(=O)[C@H](N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21
    InChI
    InChI=1S/C64H60Cl2N10O17/c65-38-15-27-3-9-44(38)92-47-22-32-23-48(57(47)83)93-45-10-6-30(20-39(45)66)56(82)55-64(90)75-54(60(86)70-14-2-13-69-12-1-11-67)37-25-34(78)26-43(81)49(37)36-19-29(5-7-41(36)79)51(61(87)76-55)73-63(89)53(32)74-62(88)52-31-17-33(77)24-35(18-31)91-46-21-28(4-8-42(46)80)50(68)59(85)71-40(16-27)58(84)72-52/h3-10,15,17-26,40,50-56,69,77-83H,1-2,11-14,16,67-68H2,(H,70,86)(H,71,85)(H,72,84)(H,73,89)(H,74,88)(H,75,90)(H,76,87)/t40-,50-,51-,52+,53-,54-,55+,56-/m1/s1
    MOLECULAR FORMULA
    C64H60Cl2N10O17
    CROSS REFERENCES
    Loading...
    canSAR820787
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1310.35
    AlogP4.34
    HBond donors19
    HBond acceptors27
    Atoms153
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR820787.