canSAR141714
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
    InChI
    InChI=1S/C77H92ClN15O13/c1-44(2)34-59(68(98)86-58(17-10-32-83-77(80)81)76(106)93-33-11-18-66(93)75(105)84-45(3)67(79)97)87-72(102)63(40-50-20-26-53-14-6-8-16-55(53)36-50)89-71(101)62(38-48-23-29-57(96)30-24-48)91-74(104)65(43-94)92-73(103)64(41-51-12-9-31-82-42-51)90-70(100)61(37-47-21-27-56(78)28-22-47)88-69(99)60(85-46(4)95)39-49-19-25-52-13-5-7-15-54(52)35-49/h5-9,12-16,19-31,35-36,42,44-45,58-66,94,96H,10-11,17-18,32-34,37-41,43H2,1-4H3,(H2,79,97)(H,84,105)(H,85,95)(H,86,98)(H,87,102)(H,88,99)(H,89,101)(H,90,100)(H,91,104)(H,92,103)(H4,80,81,83)/t45-,58+,59+,60+,61+,62+,63+,64+,65+,66+/m1/s1
    MOLECULAR FORMULA
    C77H92ClN15O13
    CROSS REFERENCES
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    canSAR141714
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1469.67
    AlogP2.23
    HBond donors17
    HBond acceptors28
    Atoms198
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR141714.