780549 logo
canSAR780549
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](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O
    InChI
    InChI=1S/C67H113N25O13/c1-6-39(4)53(62(103)89-44(24-15-29-78-64(70)71)56(97)83-36-51(93)82-37-52(94)85-48(63(104)105)27-18-32-81-67(76)77)92-59(100)47(26-17-31-80-66(74)75)86-54(95)40(5)84-60(101)49(34-41-19-9-7-10-20-41)91-61(102)50(35-42-21-11-8-12-22-42)90-58(99)45(23-13-14-28-68)88-57(98)46(25-16-30-79-65(72)73)87-55(96)43(69)33-38(2)3/h7-12,19-22,38-40,43-50,53H,6,13-18,23-37,68-69H2,1-5H3,(H,82,93)(H,83,97)(H,84,101)(H,85,94)(H,86,95)(H,87,96)(H,88,98)(H,89,103)(H,90,99)(H,91,102)(H,92,100)(H,104,105)(H4,70,71,78)(H4,72,73,79)(H4,74,75,80)(H4,76,77,81)/t39-,40-,43-,44-,45-,46-,47-,48-,49-,50-,53-/m0/s1
    MOLECULAR FORMULA
    C67H113N25O13
    CROSS REFERENCES
    780549 logo

    canSAR780549

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1475.89
    AlogP -5.23
    HBond donors 32
    HBond acceptors 38
    Atoms 218
    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 canSAR780549.