canSAR1582506
FEATURES
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NAMES
    SMILES
    COC(=O)[C@@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C(=O)OC(C)(C)C)C(=O)[C@@H](Cc1ccccc1)N(C(=O)OC(C)(C)C)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1
    InChI
    InChI=1S/C57H84N10O15S/c1-34(2)30-41(49(73)65-40(27-29-83-10)53(77)80-9)62-46(70)33-61-50(74)42(31-35-18-13-11-14-19-35)66(54(78)81-56(3,4)5)52(76)43(32-36-20-15-12-16-21-36)67(55(79)82-57(6,7)8)51(75)39(24-26-45(59)69)64-48(72)38(23-25-44(58)68)63-47(71)37-22-17-28-60-37/h11-16,18-21,34,37-43,60H,17,22-33H2,1-10H3,(H2,58,68)(H2,59,69)(H,61,74)(H,62,70)(H,63,71)(H,64,72)(H,65,73)/t37?,38-,39-,40+,41-,42-,43+/m0/s1
    MOLECULAR FORMULA
    C57H84N10O15S
    CROSS REFERENCES
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    canSAR1582506
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1180.58
    AlogP2.05
    HBond donors10
    HBond acceptors25
    Atoms167
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1582506.