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canSAR1126316
FEATURES
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NAMES
    SMILES
    CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CC2CCCCC2[C@H]1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CC2CCCCC2[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CC2CCCCC2[C@H]1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O
    InChI
    InChI=1S/C99H158N26O20/c1-61(126)107-50-78(127)118-76(48-62-26-4-2-5-27-62)92(138)113-56-84(133)124-59-65-31-10-12-34-68(65)87(124)98(144)110-53-81(130)116-72(38-16-22-44-102)91(137)112-55-83(132)123-58-64-30-8-13-35-69(64)88(123)99(145)111-54-82(131)119-77(49-63-28-6-3-7-29-63)93(139)114-57-85(134)125-60-66-32-9-11-33-67(66)86(125)97(143)109-52-80(129)115-71(37-15-21-43-101)90(136)108-51-79(128)117-73(39-17-23-45-103)94(140)121-75(41-19-25-47-105)96(142)122-74(40-18-24-46-104)95(141)120-70(89(106)135)36-14-20-42-100/h2-7,26-29,64-77,86-88H,8-25,30-60,100-105H2,1H3,(H2,106,135)(H,107,126)(H,108,136)(H,109,143)(H,110,144)(H,111,145)(H,112,137)(H,113,138)(H,114,139)(H,115,129)(H,116,130)(H,117,128)(H,118,127)(H,119,131)(H,120,141)(H,121,140)(H,122,142)/t64?,65?,66?,67?,68?,69?,70-,71-,72-,73-,74-,75-,76-,77-,86-,87-,88-/m0/s1
    MOLECULAR FORMULA
    C99H158N26O20
    CROSS REFERENCES
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    canSAR1126316

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2031.21
    AlogP -5.39
    HBond donors 30
    HBond acceptors 46
    Atoms 303
    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 canSAR1126316.