canSAR285708
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(N)=O)C(C)(C)S)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O
    InChI
    InChI=1S/C87H124N24O22S2/c1-46(2)34-55(75(122)104-60(37-50-24-26-52(113)27-25-50)84(131)111-33-14-22-63(111)80(127)106-61(44-134)78(125)103-58(39-66(90)115)73(120)97-43-69(118)109-31-15-23-64(109)85(132)133)99-67(116)41-95-79(126)62-21-13-32-110(62)83(130)59(36-49-18-10-7-11-19-49)105-76(123)57(38-51-40-93-45-98-51)100-68(117)42-96-81(128)70(47(3)112)107-82(129)71(87(4,5)135)108-77(124)56(35-48-16-8-6-9-17-48)102-74(121)54(20-12-30-94-86(91)92)101-72(119)53(88)28-29-65(89)114/h6-11,16-19,24-27,40,45-47,53-64,70-71,112-113,134-135H,12-15,20-23,28-39,41-44,88H2,1-5H3,(H2,89,114)(H2,90,115)(H,93,98)(H,95,126)(H,96,128)(H,97,120)(H,99,116)(H,100,117)(H,101,119)(H,102,121)(H,103,125)(H,104,122)(H,105,123)(H,106,127)(H,107,129)(H,108,124)(H,132,133)(H4,91,92,94)/t47-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62-,63+,64+,70+,71-/m1/s1
    MOLECULAR FORMULA
    C87H124N24O22S2
    CROSS REFERENCES
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    canSAR285708
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1920.88
    AlogP-6.56
    HBond donors27
    HBond acceptors46
    Atoms259
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR285708.