canSAR865645
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](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)CC
    InChI
    InChI=1S/C98H161N29O27S2/c1-11-51(7)75(125-93(151)76(52(8)12-2)124-78(136)57(100)24-18-37-108-96(102)103)92(150)120-65(44-55-29-31-56(130)32-30-55)86(144)119-67(46-73(134)135)88(146)112-59(26-19-38-109-97(104)105)79(137)111-58(25-16-17-36-99)80(138)117-64(43-54-22-14-13-15-23-54)85(143)116-63(42-49(3)4)84(142)115-62(35-41-156-10)83(141)114-61(33-34-72(132)133)82(140)122-69(48-155)89(147)113-60(27-20-39-110-98(106)107)81(139)118-66(45-71(101)131)87(145)121-68(47-128)94(152)127-40-21-28-70(127)90(148)123-74(50(5)6)91(149)126-77(53(9)129)95(153)154/h13-15,22-23,29-32,49-53,57-70,74-77,128-130,155H,11-12,16-21,24-28,33-48,99-100H2,1-10H3,(H2,101,131)(H,111,137)(H,112,146)(H,113,147)(H,114,141)(H,115,142)(H,116,143)(H,117,138)(H,118,139)(H,119,144)(H,120,150)(H,121,145)(H,122,140)(H,123,148)(H,124,136)(H,125,151)(H,126,149)(H,132,133)(H,134,135)(H,153,154)(H4,102,103,108)(H4,104,105,109)(H4,106,107,110)/t51-,52-,53+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,74-,75-,76-,77-/m0/s1
    MOLECULAR FORMULA
    C98H161N29O27S2
    CROSS REFERENCES
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    canSAR865645
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2240.16
    AlogP-7.68
    HBond donors40
    HBond acceptors56
    Atoms317
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR865645.