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canSAR1149410
FEATURES
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NAMES
    SMILES
    Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(=O)(NCCNCCNC(=O)CCC(C)[C@H]3C[C@H]4[C@H]5[C@H](C[C@H](O)[C@]4(C)C3)[C@@]3(C)CC[C@@H](O)C[C@H]3C[C@H]5O)OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3N=[N+]=[N-])O2)c(=O)[nH]c1=O
    InChI
    InChI=1S/C48H74N13O13P/c1-25(28-14-31-42-32(17-38(64)48(31,5)20-28)47(4)9-8-30(62)15-29(47)16-35(42)63)6-7-39(65)52-12-10-51-11-13-53-75(70,71-23-36-33(56-58-49)18-40(73-36)60-21-26(2)43(66)54-45(60)68)72-24-37-34(57-59-50)19-41(74-37)61-22-27(3)44(67)55-46(61)69/h21-22,25,28-38,40-42,51,62-64H,6-20,23-24H2,1-5H3,(H,52,65)(H,53,70)(H,54,66,68)(H,55,67,69)/t25?,28-,29-,30+,31-,32-,33-,34-,35+,36+,37+,38-,40+,41+,42-,47-,48+/m0/s1
    MOLECULAR FORMULA
    C48H74N13O13P
    CROSS REFERENCES
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    canSAR1149410

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1071.53
    AlogP 3.45
    HBond donors 8
    HBond acceptors 26
    Atoms 149
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1149410.