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canSAR786273
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC
    InChI
    InChI=1S/C77H124N26O24/c1-10-37(7)61(102-63(114)39(9)91-68(119)47(26-35(3)4)97-66(117)45(21-23-53(80)105)95-65(116)43(18-14-24-86-76(82)83)93-56(108)34-90-72(123)60(36(5)6)101-67(118)44(20-22-52(79)104)92-55(107)31-78)73(124)99-48(27-40-32-88-42-17-13-12-16-41(40)42)64(115)89-33-57(109)94-50(29-58(110)111)70(121)98-51(30-59(112)113)71(122)103-62(38(8)11-2)74(125)100-49(28-54(81)106)69(120)96-46(75(126)127)19-15-25-87-77(84)85/h12-13,16-17,32,35-39,43-51,60-62,88H,10-11,14-15,18-31,33-34,78H2,1-9H3,(H2,79,104)(H2,80,105)(H2,81,106)(H,89,115)(H,90,123)(H,91,119)(H,92,107)(H,93,108)(H,94,109)(H,95,116)(H,96,120)(H,97,117)(H,98,121)(H,99,124)(H,100,125)(H,101,118)(H,102,114)(H,103,122)(H,110,111)(H,112,113)(H,126,127)(H4,82,83,86)(H4,84,85,87)/t37-,38-,39-,43-,44-,45-,46-,47-,48-,49-,50-,51-,60-,61-,62-/m0/s1
    MOLECULAR FORMULA
    C77H124N26O24
    CROSS REFERENCES
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    canSAR786273

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1796.93
    AlogP -9.01
    HBond donors 35
    HBond acceptors 50
    Atoms 251
    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 canSAR786273.