canSAR93518
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CN)C(C)O)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C=O)C(C)C
    InChI
    InChI=1S/C99H162N34O23/c1-7-54(4)76(88(149)117-60(21-10-36-111-96(102)103)79(140)123-67(50-134)53(2)3)125-86(147)73-29-17-42-130(73)92(153)63(23-12-38-113-98(106)107)119-83(144)70-26-16-44-132(70)94(155)66(47-58-49-110-52-115-58)122-81(142)68(51-135)124-89(150)77(55(5)136)126-87(148)74-30-18-43-131(74)93(154)64(24-13-39-114-99(108)109)120-84(145)72-28-19-45-133(72)95(156)78(56(6)137)127-80(141)65(46-57-31-33-59(138)34-32-57)121-85(146)71-27-15-41-129(71)91(152)62(22-11-37-112-97(104)105)118-82(143)69-25-14-40-128(69)90(151)61(20-8-9-35-100)116-75(139)48-101/h31-34,49-50,52-56,60-74,76-78,135-138H,7-30,35-48,51,100-101H2,1-6H3,(H,110,115)(H,116,139)(H,117,149)(H,118,143)(H,119,144)(H,120,145)(H,121,146)(H,122,142)(H,123,140)(H,124,150)(H,125,147)(H,126,148)(H,127,141)(H4,102,103,111)(H4,104,105,112)(H4,106,107,113)(H4,108,109,114)/t54-,55+,56?,60-,61-,62-,63-,64-,65-,66-,67+,68-,69-,70-,71-,72-,73-,74-,76-,77-,78-/m0/s1
    MOLECULAR FORMULA
    C99H162N34O23
    CROSS REFERENCES
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    canSAR93518
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2195.26
    AlogP-10.38
    HBond donors37
    HBond acceptors57
    Atoms318
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR93518.