canSAR184643
FEATURES
Loading...
NAMES
    SMILES
    CCNC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1
    InChI
    InChI=1S/C60H86N16O12/c1-7-64-56(85)48-15-11-23-76(48)59(88)42(14-10-22-65-60(61)62)69-52(81)43(24-33(2)3)70-53(82)44(25-34(4)5)73-57(86)49(26-35-16-18-38(78)19-17-35)75(6)58(87)47(31-77)74-54(83)45(27-36-29-66-40-13-9-8-12-39(36)40)71-55(84)46(28-37-30-63-32-67-37)72-51(80)41-20-21-50(79)68-41/h8-9,12-13,16-19,29-30,32-34,41-49,66,77-78H,7,10-11,14-15,20-28,31H2,1-6H3,(H,63,67)(H,64,85)(H,68,79)(H,69,81)(H,70,82)(H,71,84)(H,72,80)(H,73,86)(H,74,83)(H4,61,62,65)/t41?,42-,43-,44+,45-,46-,47-,48?,49-/m0/s1
    MOLECULAR FORMULA
    C60H86N16O12
    CROSS REFERENCES
    Loading...
    canSAR184643
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1222.66
    AlogP-1.10
    HBond donors16
    HBond acceptors28
    Atoms174
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR184643.