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canSAR777664
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)CC
    InChI
    InChI=1S/C130H176N40O20/c1-5-74(3)108(125(189)159-92(46-25-26-50-131)114(178)166-103(62-83-67-142-72-153-83)122(186)163-99(58-79-37-17-10-18-38-79)124(188)170-109(75(4)6-2)126(190)167-104(63-84-68-143-73-154-84)121(185)158-93(47-28-52-145-128(136)137)113(177)160-96(110(133)174)55-76-31-11-7-12-32-76)169-123(187)97(56-77-33-13-8-14-34-77)155-107(173)70-151-106(172)69-152-112(176)105(71-171)168-117(181)98(57-78-35-15-9-16-36-78)162-120(184)102(61-82-66-150-91-45-24-21-41-87(82)91)165-116(180)95(49-30-54-147-130(140)141)157-119(183)101(60-81-65-149-90-44-23-20-40-86(81)90)164-115(179)94(48-29-53-146-129(138)139)156-118(182)100(59-80-64-148-89-43-22-19-39-85(80)89)161-111(175)88(132)42-27-51-144-127(134)135/h7-24,31-41,43-45,64-68,72-75,88,92-105,108-109,148-150,171H,5-6,25-30,42,46-63,69-71,131-132H2,1-4H3,(H2,133,174)(H,142,153)(H,143,154)(H,151,172)(H,152,176)(H,155,173)(H,156,182)(H,157,183)(H,158,185)(H,159,189)(H,160,177)(H,161,175)(H,162,184)(H,163,186)(H,164,179)(H,165,180)(H,166,178)(H,167,190)(H,168,181)(H,169,187)(H,170,188)(H4,134,135,144)(H4,136,137,145)(H4,138,139,146)(H4,140,141,147)/t74-,75-,88-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,108-,109-/m0/s1
    MOLECULAR FORMULA
    C130H176N40O20
    CROSS REFERENCES
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    canSAR777664

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2617.40
    AlogP -2.87
    HBond donors 46
    HBond acceptors 60
    Atoms 366
    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 canSAR777664.