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canSAR2018604
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(N)=O
    InChI
    InChI=1S/C144H232N44O42S/c1-17-72(10)112(140(228)164-73(11)116(204)172-92(115(153)203)59-105(150)196)186-137(225)103(66-190)183-132(220)99(61-107(152)198)177-129(217)94(54-69(4)5)174-130(218)95(56-79-36-40-82(193)41-37-79)175-124(212)86(32-22-25-48-146)166-122(210)87(33-23-26-49-147)170-138(226)110(70(6)7)184-117(205)74(12)162-120(208)91(46-52-231-16)169-126(214)90(44-45-104(149)195)168-121(209)85(31-21-24-47-145)165-123(211)88(34-27-50-159-143(154)155)167-128(216)93(53-68(2)3)173-125(213)89(35-28-51-160-144(156)157)171-141(229)113(76(14)191)187-134(222)96(57-80-38-42-83(194)43-39-80)176-131(219)98(60-106(151)197)178-133(221)101(63-109(201)202)181-142(230)114(77(15)192)188-135(223)97(55-78-29-19-18-20-30-78)180-139(227)111(71(8)9)185-118(206)75(13)163-127(215)100(62-108(199)200)179-136(224)102(65-189)182-119(207)84(148)58-81-64-158-67-161-81/h18-20,29-30,36-43,64,67-77,84-103,110-114,189-194H,17,21-28,31-35,44-63,65-66,145-148H2,1-16H3,(H2,149,195)(H2,150,196)(H2,151,197)(H2,152,198)(H2,153,203)(H,158,161)(H,162,208)(H,163,215)(H,164,228)(H,165,211)(H,166,210)(H,167,216)(H,168,209)(H,169,214)(H,170,226)(H,171,229)(H,172,204)(H,173,213)(H,174,218)(H,175,212)(H,176,219)(H,177,217)(H,178,221)(H,179,224)(H,180,227)(H,181,230)(H,182,207)(H,183,220)(H,184,205)(H,185,206)(H,186,225)(H,187,222)(H,188,223)(H,199,200)(H,201,202)(H4,154,155,159)(H4,156,157,160)/t72-,73-,74-,75-,76+,77+,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,110-,111-,112-,113?,114-/m0/s1
    MOLECULAR FORMULA
    C144H232N44O42S
    CROSS REFERENCES
    2018604 logo

    canSAR2018604

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3281.71
    AlogP -16.66
    HBond donors 62
    HBond acceptors 86
    Atoms 463
    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 canSAR2018604.