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canSAR200436
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C
    InChI
    InChI=1S/C149H223N41O46/c1-13-75(6)119(146(234)182-101(58-82-29-16-14-17-30-82)136(224)168-79(10)126(214)178-104(61-85-64-160-90-34-21-20-33-88(85)90)138(226)179-100(57-73(2)3)140(228)188-118(74(4)5)145(233)177-92(35-22-25-53-150)128(216)161-66-111(199)169-91(122(154)210)38-28-56-159-149(155)156)189-135(223)99(47-52-116(206)207)175-132(220)93(36-23-26-54-151)171-124(212)77(8)165-123(211)76(7)167-131(219)97(43-48-109(153)197)170-112(200)67-162-130(218)96(46-51-115(204)205)174-134(222)98-44-49-110(198)158-55-27-24-37-94(133(221)184-107(70-192)144(232)185-106(69-191)142(230)180-102(137(225)176-98)60-84-39-41-87(196)42-40-84)173-139(227)105(63-117(208)209)181-143(231)108(71-193)186-148(236)121(81(12)195)190-141(229)103(59-83-31-18-15-19-32-83)183-147(235)120(80(11)194)187-113(201)68-163-129(217)95(45-50-114(202)203)172-125(213)78(9)166-127(215)89(152)62-86-65-157-72-164-86/h14-21,29-34,39-42,64-65,72-81,89,91-108,118-121,160,191-196H,13,22-28,35-38,43-63,66-71,150-152H2,1-12H3,(H2,153,197)(H2,154,210)(H,157,164)(H,158,198)(H,161,216)(H,162,218)(H,163,217)(H,165,211)(H,166,215)(H,167,219)(H,168,224)(H,169,199)(H,170,200)(H,171,212)(H,172,213)(H,173,227)(H,174,222)(H,175,220)(H,176,225)(H,177,233)(H,178,214)(H,179,226)(H,180,230)(H,181,231)(H,182,234)(H,183,235)(H,184,221)(H,185,232)(H,186,236)(H,187,201)(H,188,228)(H,189,223)(H,190,229)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H4,155,156,159)/t75-,76-,77-,78-,79-,80+,81+,89-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,118-,119-,120-,121-/m0/s1
    MOLECULAR FORMULA
    C149H223N41O46
    CROSS REFERENCES
    200436 logo

    canSAR200436

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3322.64
    AlogP -15.62
    HBond donors 56
    HBond acceptors 87
    Atoms 459
    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 canSAR200436.