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canSAR830262
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)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(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)CC
    InChI
    InChI=1S/C157H215N43O23/c1-5-95(3)133(199-136(205)110(162)75-97-43-14-7-15-44-97)153(222)189-116(64-35-39-71-161)143(212)197-128(84-106-88-170-93-180-106)151(220)194-125(81-103-55-26-13-27-56-103)152(221)200-134(96(4)6-2)154(223)198-129(85-107-89-171-94-181-107)150(219)188-119(67-42-74-174-157(168)169)144(213)191-121(77-99-47-18-9-19-48-99)137(206)179-91-131(202)177-90-130(201)178-92-132(203)182-122(78-100-49-20-10-21-50-100)145(214)185-113(61-32-36-68-158)138(207)183-114(62-33-37-69-159)141(210)192-124(80-102-53-24-12-25-54-102)147(216)196-126(82-104-86-175-111-59-30-28-57-108(104)111)148(217)186-115(63-34-38-70-160)142(211)195-127(83-105-87-176-112-60-31-29-58-109(105)112)149(218)193-123(79-101-51-22-11-23-52-101)146(215)187-117(65-40-72-172-155(164)165)139(208)184-118(66-41-73-173-156(166)167)140(209)190-120(135(163)204)76-98-45-16-8-17-46-98/h7-31,43-60,86-89,93-96,110,113-129,133-134,175-176H,5-6,32-42,61-85,90-92,158-162H2,1-4H3,(H2,163,204)(H,170,180)(H,171,181)(H,177,202)(H,178,201)(H,179,206)(H,182,203)(H,183,207)(H,184,208)(H,185,214)(H,186,217)(H,187,215)(H,188,219)(H,189,222)(H,190,209)(H,191,213)(H,192,210)(H,193,218)(H,194,220)(H,195,211)(H,196,216)(H,197,212)(H,198,223)(H,199,205)(H,200,221)(H4,164,165,172)(H4,166,167,173)(H4,168,169,174)/t95-,96-,110-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,133-,134-/m0/s1
    MOLECULAR FORMULA
    C157H215N43O23
    CROSS REFERENCES
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    canSAR830262

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3070.70
    AlogP -1.16
    HBond donors 50
    HBond acceptors 66
    Atoms 438
    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 canSAR830262.