canSAR738196
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(-c3ccc(OC)cc3)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/C72H107N21O19S2/c1-9-36(3)58(88-61(100)44(73)15-13-25-78-72(76)77)69(108)86-50(30-55(74)95)65(104)84-51(31-56(75)96)66(105)89-59(37(4)10-2)70(109)92-33-41(93-34-52(90-91-93)39-17-19-42(112-6)20-18-39)29-54(92)68(107)85-49(28-40-32-79-45-16-12-11-14-43(40)45)64(103)87-53(35-94)67(106)82-46(21-22-57(97)98)62(101)80-38(5)60(99)81-47(23-26-113-7)63(102)83-48(71(110)111)24-27-114-8/h11-12,14,16-20,32,34,36-38,41,44,46-51,53-54,58-59,79,94H,9-10,13,15,21-31,33,35,73H2,1-8H3,(H2,74,95)(H2,75,96)(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)(H4,76,77,78)/t36-,37-,38-,41-,44-,46-,47-,48-,49-,50-,51-,53-,54-,58-,59-/m0/s1
    MOLECULAR FORMULA
    C72H107N21O19S2
    CROSS REFERENCES
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    canSAR738196
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1633.75
    AlogP-3.43
    HBond donors24
    HBond acceptors40
    Atoms221
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR738196.