canSAR817142
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(C)C)C(N)=O
    InChI
    InChI=1S/C69H106N24O19S/c1-32(2)23-45(64(108)86-40(57(73)101)20-22-113-7)90-65(109)47(25-37-28-76-31-81-37)84-53(99)29-79-67(111)55(33(3)4)92-58(102)34(5)82-63(107)46(24-36-27-78-39-12-9-8-11-38(36)39)91-61(105)44(15-18-50(71)96)89-66(110)48(26-51(72)97)85-54(100)30-80-68(112)56(35(6)94)93-62(106)41(13-10-21-77-69(74)75)87-60(104)43(14-17-49(70)95)88-59(103)42-16-19-52(98)83-42/h8-9,11-12,27-28,31-35,40-48,55-56,78,94H,10,13-26,29-30H2,1-7H3,(H2,70,95)(H2,71,96)(H2,72,97)(H2,73,101)(H,76,81)(H,79,111)(H,80,112)(H,82,107)(H,83,98)(H,84,99)(H,85,100)(H,86,108)(H,87,104)(H,88,103)(H,89,110)(H,90,109)(H,91,105)(H,92,102)(H,93,106)(H4,74,75,77)/t34-,35+,40-,41-,42-,43-,44-,45-,46-,47-,48-,55-,56-/m0/s1
    MOLECULAR FORMULA
    C69H106N24O19S
    CROSS REFERENCES
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    canSAR817142
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1606.78
    AlogP-8.47
    HBond donors29
    HBond acceptors43
    Atoms219
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR817142.