canSAR1083930
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCNC(=O)CCCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)C(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)O
    InChI
    InChI=1S/C136H201N35O34/c1-70(2)55-95(160-125(195)99(159-117(187)89(138)66-172)60-82-62-146-90-29-18-16-27-87(82)90)121(191)152-77(12)114(184)164-101(59-81-41-47-86(178)48-42-81)133(203)171-54-26-34-105(171)129(199)148-64-108(180)150-75(10)116(186)168-111(73(7)8)132(202)166-102(67-173)127(197)161-98(58-80-39-45-85(177)46-40-80)124(194)157-94(33-24-52-145-136(141)142)120(190)155-92(31-20-22-50-143-107(179)36-15-14-21-49-137)119(189)156-93(32-23-51-144-135(139)140)118(188)151-78(13)115(185)165-103(68-174)128(198)169-110(72(5)6)131(201)154-74(9)112(182)149-65-109(181)170-53-25-35-106(170)130(200)163-97(57-79-37-43-84(176)44-38-79)122(192)153-76(11)113(183)158-96(56-71(3)4)123(193)162-100(126(196)167-104(69-175)134(204)205)61-83-63-147-91-30-19-17-28-88(83)91/h16-19,27-30,37-48,62-63,70-78,89,92-106,110-111,146-147,172-178H,14-15,20-26,31-36,49-61,64-69,137-138H2,1-13H3,(H,143,179)(H,148,199)(H,149,182)(H,150,180)(H,151,188)(H,152,191)(H,153,192)(H,154,201)(H,155,190)(H,156,189)(H,157,194)(H,158,183)(H,159,187)(H,160,195)(H,161,197)(H,162,193)(H,163,200)(H,164,184)(H,165,185)(H,166,202)(H,167,196)(H,168,186)(H,169,198)(H,204,205)(H4,139,140,144)(H4,141,142,145)/t74-,75-,76-,77-,78-,89-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,110-,111-/m0/s1
    MOLECULAR FORMULA
    C136H201N35O34
    CROSS REFERENCES
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    canSAR1083930
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2868.51
    AlogP-7.59
    HBond donors45
    HBond acceptors69
    Atoms406
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1083930.