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canSAR777881
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CCSC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]2CCCN2C(=O)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)CCSC)CSSC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CO)NC1=O
    InChI
    InChI=1S/C78H121N27O19S4/c1-5-41(2)61-75(124)101-55(37-106)71(120)103-57(73(122)98-52(32-43-19-21-45(107)22-20-43)68(117)93-47(62(80)111)15-9-25-88-76(81)82)39-128-127-38-56(102-63(112)46(79)23-29-125-3)72(121)99-53(33-44-35-87-40-92-44)69(118)97-51(31-42-13-7-6-8-14-42)64(113)91-36-59(108)105-28-12-18-58(105)74(123)96-48(16-10-26-89-77(83)84)65(114)95-50(24-30-126-4)66(115)100-54(34-60(109)110)70(119)94-49(67(116)104-61)17-11-27-90-78(85)86/h6-8,13-14,19-22,35,40-41,46-58,61,106-107H,5,9-12,15-18,23-34,36-39,79H2,1-4H3,(H2,80,111)(H,87,92)(H,91,113)(H,93,117)(H,94,119)(H,95,114)(H,96,123)(H,97,118)(H,98,122)(H,99,121)(H,100,115)(H,101,124)(H,102,112)(H,103,120)(H,104,116)(H,109,110)(H4,81,82,88)(H4,83,84,89)(H4,85,86,90)/t41-,46-,47-,48-,49+,50+,51+,52-,53-,54-,55+,56-,57+,58+,61-/m0/s1
    MOLECULAR FORMULA
    C78H121N27O19S4
    CROSS REFERENCES
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    canSAR777881

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1867.82
    AlogP -7.54
    HBond donors 33
    HBond acceptors 46
    Atoms 249
    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 canSAR777881.