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canSAR779670
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)[C@H]1CC(=O)NCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2c[nH]cn2)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@@H]2C(=O)N1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O
    InChI
    InChI=1S/C75H109N25O26/c1-33(2)58(70(121)98-59(36(5)102)69(120)85-29-54(107)89-42(14-9-17-80-75(77)78)61(112)83-28-55(108)91-47(24-57(110)111)65(116)95-48(31-101)73(124)100-19-11-15-49(100)67(118)88-35(4)74(125)126)97-66(117)46-23-52(105)82-27-53(106)90-45(22-51(76)104)64(115)92-43(20-38-25-81-41-13-8-7-12-40(38)41)63(114)93-44(21-39-26-79-32-86-39)62(113)84-30-56(109)96-60(37(6)103)71(122)87-34(3)72(123)99-18-10-16-50(99)68(119)94-46/h7-8,12-13,25-26,32-37,42-50,58-60,81,101-103H,9-11,14-24,27-31H2,1-6H3,(H2,76,104)(H,79,86)(H,82,105)(H,83,112)(H,84,113)(H,85,120)(H,87,122)(H,88,118)(H,89,107)(H,90,106)(H,91,108)(H,92,115)(H,93,114)(H,94,119)(H,95,116)(H,96,109)(H,97,117)(H,98,121)(H,110,111)(H,125,126)(H4,77,78,80)/t34-,35-,36+,37+,42-,43-,44+,45+,46+,47-,48-,49+,50+,58-,59-,60+/m0/s1
    MOLECULAR FORMULA
    C75H109N25O26
    CROSS REFERENCES
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    canSAR779670

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1775.80
    AlogP -12.72
    HBond donors 29
    HBond acceptors 51
    Atoms 235
    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 canSAR779670.