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canSAR1442266
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](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O
    InChI
    InChI=1S/C147H240N44O40S/c1-20-75(12)114(142(228)182-99(58-72(6)7)131(217)175-96(118(156)204)63-108(153)199)188-139(225)106(68-192)185-135(221)104(65-110(155)201)180-132(218)98(57-71(4)5)177-133(219)100(60-83-39-43-86(196)44-40-83)178-127(213)90(35-25-28-51-149)169-125(211)91(36-26-29-52-150)173-140(226)112(73(8)9)186-119(205)77(14)166-123(209)95(49-55-232-19)172-129(215)94(47-48-107(152)198)171-124(210)89(34-24-27-50-148)168-126(212)92(37-30-53-162-146(157)158)170-130(216)97(56-70(2)3)176-128(214)93(38-31-54-163-147(159)160)174-144(230)116(80(17)194)190-137(223)101(61-84-41-45-87(197)46-42-84)179-134(220)103(64-109(154)200)181-136(222)105(66-111(202)203)184-145(231)117(81(18)195)191-138(224)102(59-82-32-22-21-23-33-82)183-141(227)113(74(10)11)187-120(206)78(15)167-143(229)115(79(16)193)189-121(207)76(13)165-122(208)88(151)62-85-67-161-69-164-85/h21-23,32-33,39-46,67,69-81,88-106,112-117,192-197H,20,24-31,34-38,47-66,68,148-151H2,1-19H3,(H2,152,198)(H2,153,199)(H2,154,200)(H2,155,201)(H2,156,204)(H,161,164)(H,165,208)(H,166,209)(H,167,229)(H,168,212)(H,169,211)(H,170,216)(H,171,210)(H,172,215)(H,173,226)(H,174,230)(H,175,217)(H,176,214)(H,177,219)(H,178,213)(H,179,220)(H,180,218)(H,181,222)(H,182,228)(H,183,227)(H,184,231)(H,185,221)(H,186,205)(H,187,206)(H,188,225)(H,189,207)(H,190,223)(H,191,224)(H,202,203)(H4,157,158,162)(H4,159,160,163)/t75-,76-,77-,78-,79?,80+,81+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,112-,113-,114-,115-,116?,117-/m0/s1
    MOLECULAR FORMULA
    C147H240N44O40S
    CROSS REFERENCES
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    canSAR1442266

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3293.78
    AlogP -14.70
    HBond donors 61
    HBond acceptors 84
    Atoms 472
    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 canSAR1442266.