canSAR2096180
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](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O
    InChI
    InChI=1S/C71H109N23O19S/c1-34(2)24-47(91-62(105)43(14-11-22-78-71(75)76)88-64(107)46(17-20-57(100)101)89-63(106)44-16-19-54(97)84-44)61(104)80-31-55(98)86-51(28-53(73)96)69(112)90-45(15-18-52(72)95)65(108)93-49(26-38-29-79-41-13-10-9-12-40(38)41)66(109)83-37(7)60(103)94-58(36(5)6)70(113)81-32-56(99)85-50(27-39-30-77-33-82-39)68(111)92-48(25-35(3)4)67(110)87-42(59(74)102)21-23-114-8/h9-10,12-13,29-30,33-37,42-51,58,79H,11,14-28,31-32H2,1-8H3,(H2,72,95)(H2,73,96)(H2,74,102)(H,77,82)(H,80,104)(H,81,113)(H,83,109)(H,84,97)(H,85,99)(H,86,98)(H,87,110)(H,88,107)(H,89,106)(H,90,112)(H,91,105)(H,92,111)(H,93,108)(H,94,103)(H,100,101)(H4,75,76,78)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,58-/m0/s1
    MOLECULAR FORMULA
    C71H109N23O19S
    CROSS REFERENCES
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    canSAR2096180
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1619.80
    AlogP-6.20
    HBond donors27
    HBond acceptors42
    Atoms223
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096180.