canSAR2099570
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(N)=O)C(C)C)C(C)C
    InChI
    InChI=1S/C115H176N32O30S/c1-60(2)48-77(104(168)136-73(34-24-46-125-114(121)122)99(163)129-64(9)96(160)133-72(33-21-23-45-117)100(164)140-78(49-61(3)4)105(169)145-86(59-178)95(120)159)139-101(165)74(35-25-47-126-115(123)124)135-102(166)76(41-43-91(155)156)138-108(172)81(51-67-28-16-12-17-29-67)141-107(171)80(53-69-36-38-70(150)39-37-69)131-89(153)57-128-98(162)84(55-92(157)158)143-113(177)94(63(7)8)146-109(173)82(52-68-30-18-13-19-31-68)142-112(176)93(62(5)6)147-110(174)83(54-88(119)152)132-90(154)56-127-97(161)71(32-20-22-44-116)134-111(175)85(58-148)144-103(167)75(40-42-87(118)151)137-106(170)79(130-65(10)149)50-66-26-14-11-15-27-66/h11-19,26-31,36-39,60-64,71-86,93-94,148,150,178H,20-25,32-35,40-59,116-117H2,1-10H3,(H2,118,151)(H2,119,152)(H2,120,159)(H,127,161)(H,128,162)(H,129,163)(H,130,149)(H,131,153)(H,132,154)(H,133,160)(H,134,175)(H,135,166)(H,136,168)(H,137,170)(H,138,172)(H,139,165)(H,140,164)(H,141,171)(H,142,176)(H,143,177)(H,144,167)(H,145,169)(H,146,173)(H,147,174)(H,155,156)(H,157,158)(H4,121,122,125)(H4,123,124,126)/t64-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,93-,94-/m0/s1
    MOLECULAR FORMULA
    C115H176N32O30S
    CROSS REFERENCES
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    canSAR2099570
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2517.30
    AlogP-8.78
    HBond donors43
    HBond acceptors62
    Atoms354
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2099570.