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canSAR832074
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)CN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)[C@@H](C)CC
    InChI
    InChI=1S/C88H162N26O22S/c1-19-48(9)69(113-78(126)52(13)97-66(117)42-95-72(120)50(11)98-79(127)59(31-23-27-36-91)108-85(133)64(44-115)111-77(125)54(15)100-81(129)61(33-38-137-18)104-65(116)41-93)87(135)101-51(12)73(121)96-43-67(118)105-57(29-21-25-34-89)82(130)114-70(49(10)20-2)88(136)103-55(16)74(122)106-60(32-24-28-37-92)83(131)112-68(47(7)8)86(134)102-56(17)76(124)110-63(40-46(5)6)84(132)107-58(30-22-26-35-90)80(128)99-53(14)75(123)109-62(71(94)119)39-45(3)4/h45-64,68-70,115H,19-44,89-93H2,1-18H3,(H2,94,119)(H,95,120)(H,96,121)(H,97,117)(H,98,127)(H,99,128)(H,100,129)(H,101,135)(H,102,134)(H,103,136)(H,104,116)(H,105,118)(H,106,122)(H,107,132)(H,108,133)(H,109,123)(H,110,124)(H,111,125)(H,112,131)(H,113,126)(H,114,130)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,68-,69-,70-/m0/s1
    MOLECULAR FORMULA
    C88H162N26O22S
    CROSS REFERENCES
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    canSAR832074

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1967.21
    AlogP -7.37
    HBond donors 33
    HBond acceptors 48
    Atoms 299
    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 canSAR832074.