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canSAR920981
FEATURES
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NAMES
    SMILES
    N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O
    InChI
    InChI=1S/C153H213N45O25S2/c154-64-26-22-51-108(186-141(216)117(75-92-39-10-3-11-40-92)192-137(212)113(58-33-71-172-152(165)166)184-134(209)112(57-32-70-171-151(163)164)188-147(222)124(88-224)180-126(200)82-158)132(207)182-110(53-24-28-66-156)135(210)191-116(74-91-37-8-2-9-38-91)140(215)185-109(52-23-27-65-155)133(208)183-111(54-25-29-67-157)136(211)195-121(79-96-83-174-103-48-19-16-45-100(96)103)144(219)187-114(59-34-72-173-153(167)168)138(213)193-120(78-95-60-62-99(199)63-61-95)139(214)181-106(55-30-68-169-149(159)160)129(204)177-86-127(201)179-107(56-31-69-170-150(161)162)131(206)190-118(76-93-41-12-4-13-42-93)142(217)196-122(80-97-84-175-104-49-20-17-46-101(97)104)145(220)194-119(77-94-43-14-5-15-44-94)143(218)197-123(81-98-85-176-105-50-21-18-47-102(98)105)146(221)198-125(89-225)148(223)189-115(130(205)178-87-128(202)203)73-90-35-6-1-7-36-90/h1-21,35-50,60-63,83-85,106-125,174-176,199,224-225H,22-34,51-59,64-82,86-89,154-158H2,(H,177,204)(H,178,205)(H,179,201)(H,180,200)(H,181,214)(H,182,207)(H,183,208)(H,184,209)(H,185,215)(H,186,216)(H,187,219)(H,188,222)(H,189,223)(H,190,206)(H,191,210)(H,192,212)(H,193,213)(H,194,220)(H,195,211)(H,196,217)(H,197,218)(H,198,221)(H,202,203)(H4,159,160,169)(H4,161,162,170)(H4,163,164,171)(H4,165,166,172)(H4,167,168,173)/t106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-/m0/s1
    MOLECULAR FORMULA
    C153H213N45O25S2
    CROSS REFERENCES
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    canSAR920981

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3144.62
    AlogP -4.02
    HBond donors 57
    HBond acceptors 70
    Atoms 438
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR920981.