834028 logo
canSAR834028
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](C(C)C)NC(=O)C2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC1=O
    InChI
    InChI=1S/C69H103N19O16/c1-11-36(6)53-66(102)84-52(35(4)5)65(101)86-54(39(9)89)67(103)77-38(8)56(92)78-44(24-18-26-74-69(71)72)58(94)87-55(40(10)90)68(104)88-27-19-25-49(88)63(99)83-51(34(2)3)64(100)82-47(30-43-32-73-33-75-43)61(97)81-46(29-42-22-16-13-17-23-42)60(96)80-45(28-41-20-14-12-15-21-41)59(95)76-37(7)57(93)79-48(31-50(70)91)62(98)85-53/h12-17,20-23,32-40,44-49,51-55,89-90H,11,18-19,24-31H2,1-10H3,(H2,70,91)(H,73,75)(H,76,95)(H,77,103)(H,78,92)(H,79,93)(H,80,96)(H,81,97)(H,82,100)(H,83,99)(H,84,102)(H,85,98)(H,86,101)(H,87,94)(H4,71,72,74)/t36-,37-,38-,39+,40+,44-,45-,46-,47-,48-,49?,51-,52-,53-,54-,55-/m0/s1
    MOLECULAR FORMULA
    C69H103N19O16
    CROSS REFERENCES
    834028 logo

    canSAR834028

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1453.78
    AlogP -4.44
    HBond donors 21
    HBond acceptors 35
    Atoms 207
    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 canSAR834028.