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canSAR114486
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](N)CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC
    InChI
    InChI=1S/C142H219N43O40/c1-16-70(9)110(135(222)180-101(62-106(145)193)129(216)174-96(55-69(7)8)131(218)183-111(71(10)17-2)136(223)184-112(76(15)187)137(224)170-90(26-21-51-159-142(153)154)118(205)169-91(44-46-105(144)192)122(209)167-88(24-19-49-157-140(149)150)119(206)171-93(113(146)200)56-77-28-36-82(188)37-29-77)182-132(219)99(59-80-34-42-85(191)43-35-80)177-128(215)100(60-81-64-155-66-160-81)178-121(208)89(25-20-50-158-141(151)152)168-125(212)95(54-68(5)6)172-116(203)73(12)162-133(220)103(65-186)181-127(214)98(58-79-32-40-84(190)41-33-79)176-126(213)97(57-78-30-38-83(189)39-31-78)175-120(207)87(23-18-48-156-139(147)148)165-114(201)72(11)161-124(211)94(53-67(3)4)173-130(217)102(63-109(198)199)179-123(210)92(45-47-107(194)195)166-115(202)74(13)163-134(221)104-27-22-52-185(104)138(225)75(14)164-117(204)86(143)61-108(196)197/h28-43,64,66-76,86-104,110-112,186-191H,16-27,44-63,65,143H2,1-15H3,(H2,144,192)(H2,145,193)(H2,146,200)(H,155,160)(H,161,211)(H,162,220)(H,163,221)(H,164,204)(H,165,201)(H,166,202)(H,167,209)(H,168,212)(H,169,205)(H,170,224)(H,171,206)(H,172,203)(H,173,217)(H,174,216)(H,175,207)(H,176,213)(H,177,215)(H,178,208)(H,179,210)(H,180,222)(H,181,214)(H,182,219)(H,183,218)(H,184,223)(H,194,195)(H,196,197)(H,198,199)(H4,147,148,156)(H4,149,150,157)(H4,151,152,158)(H4,153,154,159)/t70-,71-,72-,73-,74-,75-,76+,86+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,110-,111-,112-/m0/s1
    MOLECULAR FORMULA
    C142H219N43O40
    CROSS REFERENCES
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    canSAR114486

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3166.64
    AlogP -12.96
    HBond donors 58
    HBond acceptors 83
    Atoms 444
    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 canSAR114486.