1131626 logo
canSAR1131626
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
    InChI
    InChI=1S/C72H110N26O15/c1-38(2)57(98-64(108)53(31-39-22-24-42(101)25-23-39)94-66(110)56(37-100)97-61(105)48(17-7-8-26-73)89-58(102)45(74)32-40-34-87-46-15-5-3-13-43(40)46)67(111)92-51(20-11-29-85-71(79)80)59(103)90-49(18-9-27-83-69(75)76)60(104)95-54(33-41-35-88-47-16-6-4-14-44(41)47)63(107)91-50(19-10-28-84-70(77)78)62(106)96-55(36-99)65(109)93-52(68(112)113)21-12-30-86-72(81)82/h3-6,13-16,22-25,34-35,38,45,48-57,87-88,99-101H,7-12,17-21,26-33,36-37,73-74H2,1-2H3,(H,89,102)(H,90,103)(H,91,107)(H,92,111)(H,93,109)(H,94,110)(H,95,104)(H,96,106)(H,97,105)(H,98,108)(H,112,113)(H4,75,76,83)(H4,77,78,84)(H4,79,80,85)(H4,81,82,86)/t45-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1
    MOLECULAR FORMULA
    C72H110N26O15
    CROSS REFERENCES
    1131626 logo

    canSAR1131626

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1578.86
    AlogP -5.53
    HBond donors 36
    HBond acceptors 41
    Atoms 223
    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 canSAR1131626.