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canSAR1127799
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(N)=O)C(C)C)C(C)C)[C@@H](C)O)C(=O)O
    InChI
    InChI=1S/C148H221N41O41/c1-72(2)55-98(130(214)166-77(11)120(204)168-92(33-21-22-50-149)125(209)169-93(34-23-51-159-146(153)154)126(210)170-94(35-24-52-160-147(155)156)127(211)172-97(47-49-115(200)201)124(208)165-78(12)121(205)174-104(64-116(202)203)135(219)187-118(76(9)10)142(226)188-119(79(13)194)143(227)182-106(145(229)230)57-74(5)6)175-132(216)101(59-82-40-44-86(196)45-41-82)178-133(217)100(58-81-38-42-85(195)43-39-81)177-128(212)95(36-25-53-161-148(157)158)171-129(213)96(46-48-112(151)197)173-131(215)99(56-73(3)4)176-134(218)103(62-84-66-163-91-32-20-18-30-88(84)91)180-137(221)108(69-191)183-139(223)109(70-192)184-140(224)111-37-26-54-189(111)144(228)105(60-80-27-15-14-16-28-80)181-136(220)107(68-190)167-114(199)67-164-123(207)102(61-83-65-162-90-31-19-17-29-87(83)90)179-138(222)110(71-193)185-141(225)117(75(7)8)186-122(206)89(150)63-113(152)198/h14-20,27-32,38-45,65-66,72-79,89,92-111,117-119,162-163,190-196H,21-26,33-37,46-64,67-71,149-150H2,1-13H3,(H2,151,197)(H2,152,198)(H,164,207)(H,165,208)(H,166,214)(H,167,199)(H,168,204)(H,169,209)(H,170,210)(H,171,213)(H,172,211)(H,173,215)(H,174,205)(H,175,216)(H,176,218)(H,177,212)(H,178,217)(H,179,222)(H,180,221)(H,181,220)(H,182,227)(H,183,223)(H,184,224)(H,185,225)(H,186,206)(H,187,219)(H,188,226)(H,200,201)(H,202,203)(H,229,230)(H4,153,154,159)(H4,155,156,160)(H4,157,158,161)/t77-,78-,79+,89-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,117-,118-,119-/m0/s1
    MOLECULAR FORMULA
    C148H221N41O41
    CROSS REFERENCES
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    canSAR1127799

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3228.65
    AlogP -12.03
    HBond donors 57
    HBond acceptors 82
    Atoms 451
    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 canSAR1127799.