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canSAR1121663
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O
    InChI
    InChI=1S/C118H168N30O33S/c1-10-61(6)96(145-109(172)82(49-69-54-125-58-129-69)131-91(154)55-128-99(162)76(36-38-92(155)156)134-102(165)77(35-37-89(121)152)135-107(170)84(52-94(159)160)139-106(169)83(51-90(122)153)138-101(164)75(29-20-41-126-118(123)124)132-98(161)62(7)130-112(175)88-48-66-24-14-15-25-67(66)56-148(88)115(178)72(120)50-93(157)158)113(176)140-79(44-59(2)3)104(167)133-74(28-18-19-40-119)100(163)136-78(39-43-182-9)103(166)142-85(46-64-22-12-11-13-23-64)116(179)147-42-21-30-87(147)111(174)143-86(57-149)110(173)146-97(63(8)150)114(177)141-81(47-68-53-127-73-27-17-16-26-71(68)73)105(168)137-80(45-65-31-33-70(151)34-32-65)108(171)144-95(60(4)5)117(180)181/h11-17,22-27,31-34,53-54,58-63,72,74-88,95-97,127,149-151H,10,18-21,28-30,35-52,55-57,119-120H2,1-9H3,(H2,121,152)(H2,122,153)(H,125,129)(H,128,162)(H,130,175)(H,131,154)(H,132,161)(H,133,167)(H,134,165)(H,135,170)(H,136,163)(H,137,168)(H,138,164)(H,139,169)(H,140,176)(H,141,177)(H,142,166)(H,143,174)(H,144,171)(H,145,172)(H,146,173)(H,155,156)(H,157,158)(H,159,160)(H,180,181)(H4,123,124,126)/t61-,62-,63+,72-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,95-,96-,97-/m0/s1
    MOLECULAR FORMULA
    C118H168N30O33S
    CROSS REFERENCES
    1121663 logo

    canSAR1121663

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2565.21
    AlogP -7.39
    HBond donors 39
    HBond acceptors 63
    Atoms 350
    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 canSAR1121663.