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canSAR1147308
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](CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)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(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)O)C(C)C
    InChI
    InChI=1S/C103H168N34O29/c1-5-54(4)77(91(156)121-58(19-8-34-115-100(106)107)81(146)130-76(53(2)3)98(163)164)131-90(155)73-28-17-41-135(73)95(160)62(22-11-37-118-103(112)113)123-86(151)69-24-15-42-136(69)96(161)64(45-56-47-114-52-119-56)126-83(148)65(48-138)127-84(149)67(51-165-99-80(145)79(144)78(143)74(50-140)166-99)129-89(154)72-27-14-40-134(72)94(159)61(21-10-36-117-102(110)111)124-87(152)70-25-16-43-137(70)97(162)66(49-139)128-82(147)63(44-55-29-31-57(141)32-30-55)125-88(153)71-26-13-39-133(71)93(158)60(20-9-35-116-101(108)109)122-85(150)68-23-12-38-132(68)92(157)59(18-6-7-33-104)120-75(142)46-105/h29-32,47,52-54,58-74,76-80,99,138-141,143-145H,5-28,33-46,48-51,104-105H2,1-4H3,(H,114,119)(H,120,142)(H,121,156)(H,122,150)(H,123,151)(H,124,152)(H,125,153)(H,126,148)(H,127,149)(H,128,147)(H,129,154)(H,130,146)(H,131,155)(H,163,164)(H4,106,107,115)(H4,108,109,116)(H4,110,111,117)(H4,112,113,118)/t54-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74+,76-,77-,78+,79-,80+,99-/m0/s1
    MOLECULAR FORMULA
    C103H168N34O29
    CROSS REFERENCES
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    canSAR1147308

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2345.27
    AlogP -13.45
    HBond donors 41
    HBond acceptors 63
    Atoms 334
    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 canSAR1147308.