canSAR1087865
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N(C(C)=O)C(=O)CCCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC
    InChI
    InChI=1S/C84H136N28O20/c1-10-44(5)66(109-78(129)60(38-50-24-28-53(116)29-25-50)106-75(126)61(39-51-41-95-42-99-51)107-73(124)54(18-15-33-96-82(89)90)100-70(121)46(7)112(48(9)114)65(119)21-13-12-14-32-85)79(130)108-62(40-64(87)118)76(127)105-59(36-43(3)4)77(128)110-67(45(6)11-2)80(131)111-68(47(8)113)81(132)103-56(20-17-35-98-84(93)94)71(122)102-57(30-31-63(86)117)74(125)101-55(19-16-34-97-83(91)92)72(123)104-58(69(88)120)37-49-22-26-52(115)27-23-49/h22-29,41-47,54-62,66-68,113,115-116H,10-21,30-40,85H2,1-9H3,(H2,86,117)(H2,87,118)(H2,88,120)(H,95,99)(H,100,121)(H,101,125)(H,102,122)(H,103,132)(H,104,123)(H,105,127)(H,106,126)(H,107,124)(H,108,130)(H,109,129)(H,110,128)(H,111,131)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t44-,45-,46-,47+,54-,55-,56-,57-,58-,59-,60-,61-,62-,66-,67-,68-/m0/s1
    MOLECULAR FORMULA
    C84H136N28O20
    CROSS REFERENCES
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    canSAR1087865
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1857.05
    AlogP-6.12
    HBond donors36
    HBond acceptors48
    Atoms268
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087865.