canSAR1087496
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
    InChI
    InChI=1S/C87H110N22O24S2/c1-45(75(122)102-59(27-29-135-3)80(127)108-66(36-74(120)121)84(131)105-62(32-49-21-25-53(113)26-22-49)83(130)107-63(76(123)95-39-69(88)114)33-50-37-92-56-16-9-7-14-54(50)56)98-81(128)61(31-48-19-23-52(112)24-20-48)104-82(129)60(30-47-12-5-4-6-13-47)100-72(117)42-97-78(125)65(35-73(118)119)101-71(116)41-94-70(115)40-96-77(124)64(34-51-38-93-57-17-10-8-15-55(51)57)106-79(126)58(18-11-28-91-87(89)90)103-85(132)67(43-110)109-86(133)68(44-134)99-46(2)111/h4-10,12-17,19-26,37-38,45,58-68,92-93,110,112-113,134H,11,18,27-36,39-44H2,1-3H3,(H2,88,114)(H,94,115)(H,95,123)(H,96,124)(H,97,125)(H,98,128)(H,99,111)(H,100,117)(H,101,116)(H,102,122)(H,103,132)(H,104,129)(H,105,131)(H,106,126)(H,107,130)(H,108,127)(H,109,133)(H,118,119)(H,120,121)(H4,89,90,91)/t45-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1
    MOLECULAR FORMULA
    C87H110N22O24S2
    CROSS REFERENCES
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    canSAR1087496
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1910.75
    AlogP-5.73
    HBond donors29
    HBond acceptors46
    Atoms245
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087496.