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canSAR1126733
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](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@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)O)C(C)C
    InChI
    InChI=1S/C106H173N35O29/c1-7-55(4)79(93(159)125-61(21-10-36-118-103(109)110)84(150)133-78(54(2)3)101(167)168)134-91(157)74-29-18-42-138(74)97(163)64(23-12-38-120-105(113)114)127-88(154)71-26-16-44-140(71)99(165)67(47-59-49-117-53-122-59)130-86(152)68(50-142)131-94(160)80(56(5)169-102-81(123-57(6)145)83(149)82(148)76(52-144)170-102)135-92(158)75-30-19-43-139(75)98(164)65(24-13-39-121-106(115)116)128-89(155)72-27-17-45-141(72)100(166)69(51-143)132-85(151)66(46-58-31-33-60(146)34-32-58)129-90(156)73-28-15-41-137(73)96(162)63(22-11-37-119-104(111)112)126-87(153)70-25-14-40-136(70)95(161)62(20-8-9-35-107)124-77(147)48-108/h31-34,49,53-56,61-76,78-83,102,142-144,146,148-149H,7-30,35-48,50-52,107-108H2,1-6H3,(H,117,122)(H,123,145)(H,124,147)(H,125,159)(H,126,153)(H,127,154)(H,128,155)(H,129,156)(H,130,152)(H,131,160)(H,132,151)(H,133,150)(H,134,157)(H,135,158)(H,167,168)(H4,109,110,118)(H4,111,112,119)(H4,113,114,120)(H4,115,116,121)/t55-,56+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76+,78-,79-,80-,81+,82+,83+,102-/m0/s1
    MOLECULAR FORMULA
    C106H173N35O29
    CROSS REFERENCES
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    canSAR1126733

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2400.31
    AlogP -12.91
    HBond donors 41
    HBond acceptors 64
    Atoms 343
    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 canSAR1126733.