canSAR1087658
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](N)CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(C)C
    InChI
    InChI=1S/C108H190N34O34/c1-18-55(14)83(140-93(163)64(33-35-72(112)143)126-73(144)48-122-87(157)59(111)42-50(4)5)99(169)123-49-74(145)125-60(30-25-39-119-106(113)114)88(158)124-58(17)86(156)127-61(28-21-23-37-109)89(159)128-62(31-26-40-120-107(115)116)91(161)137-81(53(10)11)101(171)139-82(54(12)13)102(172)142-85(57(16)20-3)103(173)130-65(34-36-75(146)147)90(160)132-69(45-77(150)151)96(166)133-68(44-76(148)149)95(165)129-63(32-27-41-121-108(117)118)92(162)141-84(56(15)19-2)104(174)136-70(46-78(152)153)97(167)134-71(47-79(154)155)98(168)138-80(52(8)9)100(170)135-67(43-51(6)7)94(164)131-66(105(175)176)29-22-24-38-110/h50-71,80-85H,18-49,109-111H2,1-17H3,(H2,112,143)(H,122,157)(H,123,169)(H,124,158)(H,125,145)(H,126,144)(H,127,156)(H,128,159)(H,129,165)(H,130,173)(H,131,164)(H,132,160)(H,133,166)(H,134,167)(H,135,170)(H,136,174)(H,137,161)(H,138,168)(H,139,171)(H,140,163)(H,141,162)(H,142,172)(H,146,147)(H,148,149)(H,150,151)(H,152,153)(H,154,155)(H,175,176)(H4,113,114,119)(H4,115,116,120)(H4,117,118,121)/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,80-,81-,82-,83-,84-,85-/m0/s1
    MOLECULAR FORMULA
    C108H190N34O34
    CROSS REFERENCES
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    canSAR1087658
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2507.42
    AlogP-9.86
    HBond donors47
    HBond acceptors68
    Atoms366
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087658.