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canSAR1268031
FEATURES
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NAMES
    SMILES
    CC[C@@H](C)[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](C(=O)O)C(C)C
    InChI
    InChI=1S/C103H164N34O21/c1-5-59(4)81(89(147)121-63(22-8-40-115-100(106)107)82(140)127-80(58(2)3)99(157)158)128-88(146)75-31-15-46-131(75)92(150)66(24-10-42-117-102(110)111)123-84(142)71-27-14-47-132(71)95(153)69(54-61-56-114-57-119-61)126-87(145)74-30-17-49-134(74)97(155)78-34-20-52-137(78)98(156)77-33-18-50-135(77)93(151)67(25-11-43-118-103(112)113)124-85(143)73-29-16-48-133(73)96(154)76-32-19-51-136(76)94(152)68(53-60-35-37-62(138)38-36-60)125-86(144)72-28-13-45-130(72)91(149)65(23-9-41-116-101(108)109)122-83(141)70-26-12-44-129(70)90(148)64(21-6-7-39-104)120-79(139)55-105/h35-38,56-59,63-78,80-81,138H,5-34,39-55,104-105H2,1-4H3,(H,114,119)(H,120,139)(H,121,147)(H,122,141)(H,123,142)(H,124,143)(H,125,144)(H,126,145)(H,127,140)(H,128,146)(H,157,158)(H4,106,107,115)(H4,108,109,116)(H4,110,111,117)(H4,112,113,118)/t59-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,80-,81-/m1/s1
    MOLECULAR FORMULA
    C103H164N34O21
    CROSS REFERENCES
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    canSAR1268031

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2213.28
    AlogP -5.89
    HBond donors 32
    HBond acceptors 55
    Atoms 322
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1268031.