1126728 logo
canSAR1126728
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)CC)[C@@H](C)CC
    InChI
    InChI=1S/C65H113N19O19/c1-10-13-19-38(57(96)82-46(32-50(90)91)63(102)84-52(35(7)12-3)64(103)83-51(53(68)92)34(6)11-2)78-61(100)44(30-33(4)5)80-58(97)39(20-14-16-27-66)76-56(95)41(22-18-29-72-65(69)70)79-62(101)45(31-47(67)86)81-59(98)40-21-15-17-28-71-48(87)25-23-42(74-37(9)85)55(94)73-36(8)54(93)75-43(60(99)77-40)24-26-49(88)89/h33-36,38-46,51-52H,10-32,66H2,1-9H3,(H2,67,86)(H2,68,92)(H,71,87)(H,73,94)(H,74,85)(H,75,93)(H,76,95)(H,77,99)(H,78,100)(H,79,101)(H,80,97)(H,81,98)(H,82,96)(H,83,103)(H,84,102)(H,88,89)(H,90,91)(H4,69,70,72)/t34-,35-,36-,38-,39-,40-,41-,42-,43-,44-,45-,46-,51-,52-/m0/s1
    MOLECULAR FORMULA
    C65H113N19O19
    CROSS REFERENCES
    1126728 logo

    canSAR1126728

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1463.85
    AlogP -4.86
    HBond donors 25
    HBond acceptors 38
    Atoms 216
    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 canSAR1126728.