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canSAR461989
FEATURES
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NAMES
    SMILES
    C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
    InChI
    InChI=1S/C82H141N37O21/c1-43(108-67(129)50(19-9-29-97-78(87)88)112-74(136)55(25-26-58(86)121)116-75(137)57-24-14-34-119(57)76(138)65(44(2)120)118-64(127)42-107-63(126)41-106-62(125)40-105-61(124)39-104-60(123)38-103-59(122)36-85)66(128)109-51(20-10-30-98-79(89)90)70(132)113-53(22-12-32-100-81(93)94)72(134)114-52(21-11-31-99-80(91)92)71(133)111-48(17-5-7-27-83)68(130)110-49(18-6-8-28-84)69(131)115-54(23-13-33-101-82(95)96)73(135)117-56(77(139)140)35-45-37-102-47-16-4-3-15-46(45)47/h3-4,15-16,37,43-44,48-57,65,102,120H,5-14,17-36,38-42,83-85H2,1-2H3,(H2,86,121)(H,103,122)(H,104,123)(H,105,124)(H,106,125)(H,107,126)(H,108,129)(H,109,128)(H,110,130)(H,111,133)(H,112,136)(H,113,132)(H,114,134)(H,115,131)(H,116,137)(H,117,135)(H,118,127)(H,139,140)(H4,87,88,97)(H4,89,90,98)(H4,91,92,99)(H4,93,94,100)(H4,95,96,101)/t43-,44+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,65-/m0/s1
    MOLECULAR FORMULA
    C82H141N37O21
    CROSS REFERENCES
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    canSAR461989

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1980.11
    AlogP -14.10
    HBond donors 47
    HBond acceptors 58
    Atoms 281
    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 canSAR461989.