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canSAR993701
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(=O)OC1CCCCC1)NC(=O)CNC(=S)Nc1ccc(Cl)cc1)C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC(c2noc3cc(F)ccc23)CC1)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C
    InChI
    InChI=1S/C159H211ClFN33O33S/c1-91(2)134(181-127(201)84-167-145(212)115-50-32-66-190(115)152(219)111(75-99-41-23-15-24-42-99)178-123(197)79-162-141(208)108(61-62-133(207)226-106-47-29-18-30-48-106)175-126(200)90-173-159(228)174-105-58-55-103(160)56-59-105)149(216)170-88-131(205)185-138(95(9)10)157(224)192-68-34-52-117(192)147(214)169-86-129(203)183-136(93(5)6)151(218)172-89-132(206)186-139(96(11)12)158(225)193-69-35-53-118(193)148(215)168-85-128(202)182-135(92(3)4)150(217)171-87-130(204)184-137(94(7)8)156(223)191-67-33-51-116(191)146(213)166-83-122(196)177-110(74-98-39-21-14-22-40-98)142(209)163-80-124(198)179-112(76-100-43-25-16-26-44-100)153(220)189-65-31-49-114(189)144(211)165-82-121(195)176-109(73-97-37-19-13-20-38-97)143(210)164-81-125(199)180-113(77-101-45-27-17-28-46-101)154(221)194-70-36-54-119(194)155(222)188-71-63-102(64-72-188)140-107-60-57-104(161)78-120(107)227-187-140/h13-17,19-28,37-46,55-60,78,91-96,102,106,108-119,134-139H,18,29-36,47-54,61-77,79-90H2,1-12H3,(H,162,208)(H,163,209)(H,164,210)(H,165,211)(H,166,213)(H,167,212)(H,168,215)(H,169,214)(H,170,216)(H,171,217)(H,172,218)(H,175,200)(H,176,195)(H,177,196)(H,178,197)(H,179,198)(H,180,199)(H,181,201)(H,182,202)(H,183,203)(H,184,204)(H,185,205)(H,186,206)(H2,173,174,228)/t108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,134-,135-,136-,137-,138-,139-/m0/s1
    MOLECULAR FORMULA
    C159H211ClFN33O33S
    CROSS REFERENCES
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    canSAR993701

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3196.52
    AlogP 0.16
    HBond donors 25
    HBond acceptors 66
    Atoms 439
    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 canSAR993701.