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canSAR1015344
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O
    InChI
    InChI=1S/C50H78N12O18/c1-5-26(4)41(48(77)56-31(50(79)80)16-18-39(69)70)61-45(74)33(22-36(53)65)58-47(76)40(25(2)3)60-44(73)32(21-27-11-13-28(64)14-12-27)57-43(72)30(15-17-38(67)68)55-37(66)23-54-46(75)35-10-8-20-62(35)49(78)34(24-63)59-42(71)29(52)9-6-7-19-51/h11-14,25-26,29-35,40-41,63-64H,5-10,15-24,51-52H2,1-4H3,(H2,53,65)(H,54,75)(H,55,66)(H,56,77)(H,57,72)(H,58,76)(H,59,71)(H,60,73)(H,61,74)(H,67,68)(H,69,70)(H,79,80)/t26-,29-,30-,31-,32-,33-,34-,35-,40-,41-/m0/s1
    MOLECULAR FORMULA
    C50H78N12O18
    CROSS REFERENCES
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    canSAR1015344

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1134.56
    AlogP -4.72
    HBond donors 19
    HBond acceptors 30
    Atoms 158
    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 canSAR1015344.