canSAR635297
FEATURES
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NAMES
    SMILES
    CCC(C)C(NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(CCC(N)=O)NC(=O)C(N)CCCNC(=N)N)C(C)CC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)O
    InChI
    InChI=1S/C147H239N47O28S/c1-9-84(5)119(193-134(213)105(58-60-116(156)196)175-122(201)93(154)44-33-68-166-144(158)159)141(220)184-100(51-25-31-66-152)133(212)192-120(85(6)10-2)142(221)191-112(78-90-81-171-95-46-20-18-43-92(90)95)138(217)188-110(76-88-40-15-12-16-41-88)136(215)182-104(57-59-115(155)195)131(210)190-113(79-117(157)197)139(218)181-103(55-36-71-169-147(164)165)126(205)179-102(54-35-70-168-146(162)163)127(206)183-106(61-73-223-8)132(211)177-99(50-24-30-65-151)130(209)189-111(77-89-80-170-94-45-19-17-42-91(89)94)137(216)180-97(48-22-28-63-149)128(207)185-107(52-26-32-67-153)143(222)194-72-37-56-114(194)140(219)173-86(7)121(200)174-96(47-21-27-62-148)124(203)178-101(53-34-69-167-145(160)161)125(204)176-98(49-23-29-64-150)129(208)186-108(74-83(3)4)135(214)187-109(123(202)172-82-118(198)199)75-87-38-13-11-14-39-87/h11-20,38-43,45-46,80-81,83-86,93,96-114,119-120,170-171H,9-10,21-37,44,47-79,82,148-154H2,1-8H3,(H2,155,195)(H2,156,196)(H2,157,197)(H,172,202)(H,173,219)(H,174,200)(H,175,201)(H,176,204)(H,177,211)(H,178,203)(H,179,205)(H,180,216)(H,181,218)(H,182,215)(H,183,206)(H,184,220)(H,185,207)(H,186,208)(H,187,214)(H,188,217)(H,189,209)(H,190,210)(H,191,221)(H,192,212)(H,193,213)(H,198,199)(H4,158,159,166)(H4,160,161,167)(H4,162,163,168)(H4,164,165,169)
    MOLECULAR FORMULA
    C147H239N47O28S
    CROSS REFERENCES
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    canSAR635297
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight3142.84
    AlogP-7.24
    HBond donors61
    HBond acceptors75
    Atoms462
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR635297.