canSAR418742
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC1C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](CS)C(=O)O
    InChI
    InChI=1S/C46H76N14O17S6/c1-19(2)10-24(54-38(68)23(7-8-34(63)64)53-41(71)27(15-80)57-37(67)22(47)13-78)39(69)58-29(17-82)43(73)59-28(16-81)42(72)55-25(11-32(48)61)45(75)60-9-5-6-31(60)44(74)51-21(4)36(66)56-26(14-79)40(70)50-20(3)35(65)49-12-33(62)52-30(18-83)46(76)77/h19-31,78-83H,5-18,47H2,1-4H3,(H2,48,61)(H,49,65)(H,50,70)(H,51,74)(H,52,62)(H,53,71)(H,54,68)(H,55,72)(H,56,66)(H,57,67)(H,58,69)(H,59,73)(H,63,64)(H,76,77)/t20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30+,31?/m0/s1
    MOLECULAR FORMULA
    C46H76N14O17S6
    CROSS REFERENCES
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    canSAR418742
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1288.38
    AlogP-7.24
    HBond donors17
    HBond acceptors31
    Atoms159
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR418742.