canSAR824241
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H](N)C2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O
    InChI
    InChI=1S/C50H76N16O11S2/c1-3-26(2)39-46(75)61-31(15-16-36(51)67)42(71)62-33(23-37(52)68)43(72)64-34(48(77)66-20-10-14-35(66)45(74)60-30(13-9-19-57-49(55)56)41(70)58-24-38(53)69)25-78-79-50(17-7-4-8-18-50)40(54)47(76)63-32(44(73)65-39)22-28-21-27-11-5-6-12-29(27)59-28/h5-6,11-12,21,26,30-35,39-40,59H,3-4,7-10,13-20,22-25,54H2,1-2H3,(H2,51,67)(H2,52,68)(H2,53,69)(H,58,70)(H,60,74)(H,61,75)(H,62,71)(H,63,76)(H,64,72)(H,65,73)(H4,55,56,57)/t26-,30+,31+,32+,33-,34+,35-,39-,40+/m0/s1
    MOLECULAR FORMULA
    C50H76N16O11S2
    CROSS REFERENCES
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    canSAR824241
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1140.53
    AlogP-3.12
    HBond donors20
    HBond acceptors27
    Atoms155
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824241.