1131740 logo
canSAR1131740
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C/N=C(/N(C)C)N(C)CCC[C@@H](C(=O)N1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]1CCCCN)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(=O)O
    InChI
    InChI=1S/C84H128N20O21/c1-47(2)41-58(94-71(113)53(87)30-33-68(107)108)74(116)95-59(43-49-26-28-51(105)29-27-49)75(117)91-55(31-34-69(109)110)72(114)96-61(45-67(88)106)77(119)93-57(21-12-14-36-85)79(121)103-40-18-25-65(103)81(123)101(9)64(24-16-38-100(8)84(89-5)99(6)7)83(125)104-66(22-13-15-37-86)82(124)102-39-17-23-63(102)78(120)97-60(44-50-46-90-54-20-11-10-19-52(50)54)76(118)92-56(32-35-70(111)112)73(115)98-62(80(104)122)42-48(3)4/h10-11,19-20,26-29,46-48,53,55-66,90,105H,12-18,21-25,30-45,85-87H2,1-9H3,(H2,88,106)(H,91,117)(H,92,118)(H,93,119)(H,94,113)(H,95,116)(H,96,114)(H,97,120)(H,98,115)(H,107,108)(H,109,110)(H,111,112)/b89-84-/t53-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1
    MOLECULAR FORMULA
    C84H128N20O21
    CROSS REFERENCES
    1131740 logo

    canSAR1131740

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1752.96
    AlogP -1.51
    HBond donors 21
    HBond acceptors 41
    Atoms 253
    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 canSAR1131740.