canSAR737677
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N1C[C@@H](n2cc(C3(N)CCCCC3)nn2)C[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)O)[C@@H](C)CC
    InChI
    InChI=1S/C71H112N22O18S2/c1-8-36(3)56(88-59(100)42(72)17-15-25-78-70(75)76)67(108)86-48(30-53(73)95)63(104)84-49(31-54(74)96)64(105)89-57(37(4)9-2)68(109)92-33-40(93-34-52(90-91-93)71(77)23-13-10-14-24-71)29-51(92)66(107)85-47(28-39-32-79-43-18-12-11-16-41(39)43)62(103)87-50(35-94)65(106)82-44(19-20-55(97)98)60(101)80-38(5)58(99)81-45(21-26-112-6)61(102)83-46(69(110)111)22-27-113-7/h11-12,16,18,32,34,36-38,40,42,44-51,56-57,79,94H,8-10,13-15,17,19-31,33,35,72,77H2,1-7H3,(H2,73,95)(H2,74,96)(H,80,101)(H,81,99)(H,82,106)(H,83,102)(H,84,104)(H,85,107)(H,86,108)(H,87,103)(H,88,100)(H,89,105)(H,97,98)(H,110,111)(H4,75,76,78)/t36-,37-,38-,40-,42-,44-,45-,46-,47-,48-,49-,50-,51-,56-,57-/m0/s1
    MOLECULAR FORMULA
    C71H112N22O18S2
    CROSS REFERENCES
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    canSAR737677
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1624.80
    AlogP-3.99
    HBond donors26
    HBond acceptors40
    Atoms225
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR737677.