canSAR94476
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(-c3ccccc3)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/C71H105N21O18S2/c1-8-36(3)57(87-60(99)43(72)19-15-25-77-71(75)76)68(107)85-49(30-54(73)94)64(103)83-50(31-55(74)95)65(104)88-58(37(4)9-2)69(108)91-33-41(92-34-51(89-90-92)39-16-11-10-12-17-39)29-53(91)67(106)84-48(28-40-32-78-44-20-14-13-18-42(40)44)63(102)86-52(35-93)66(105)81-45(21-22-56(96)97)61(100)79-38(5)59(98)80-46(23-26-111-6)62(101)82-47(70(109)110)24-27-112-7/h10-14,16-18,20,32,34,36-38,41,43,45-50,52-53,57-58,78,93H,8-9,15,19,21-31,33,35,72H2,1-7H3,(H2,73,94)(H2,74,95)(H,79,100)(H,80,98)(H,81,105)(H,82,101)(H,83,103)(H,84,106)(H,85,107)(H,86,102)(H,87,99)(H,88,104)(H,96,97)(H,109,110)(H4,75,76,77)/t36-,37-,38-,41-,43-,45-,46-,47-,48-,49-,50-,52-,53-,57-,58-/m0/s1
    MOLECULAR FORMULA
    C71H105N21O18S2
    CROSS REFERENCES
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    canSAR94476
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1603.74
    AlogP-3.44
    HBond donors24
    HBond acceptors39
    Atoms217
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR94476.