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canSAR1143302
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
    InChI
    InChI=1S/C85H132N24O21S2/c1-46(2)37-58(101-70(115)47(3)95-67(113)40-89)73(118)97-54(22-13-33-92-85(90)91)71(116)94-42-68(114)96-62-44-131-132-45-63(77(122)100-57(84(129)130)21-9-12-32-88)105-79(124)64-23-14-34-107(64)81(126)56(20-8-11-31-87)99-78(123)65-24-15-35-108(65)83(128)66-25-16-36-109(66)82(127)60(38-49-26-28-51(112)29-27-49)103-75(120)61(43-110)104-72(117)55(19-7-10-30-86)98-80(125)69(48(4)111)106-74(119)59(102-76(62)121)39-50-41-93-53-18-6-5-17-52(50)53/h5-6,17-18,26-29,41,46-48,54-66,69,93,110-112H,7-16,19-25,30-40,42-45,86-89H2,1-4H3,(H,94,116)(H,95,113)(H,96,114)(H,97,118)(H,98,125)(H,99,123)(H,100,122)(H,101,115)(H,102,121)(H,103,120)(H,104,117)(H,105,124)(H,106,119)(H,129,130)(H4,90,91,92)/t47-,48+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,69-/m0/s1
    MOLECULAR FORMULA
    C85H132N24O21S2
    CROSS REFERENCES
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    canSAR1143302

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1888.94
    AlogP -5.91
    HBond donors 30
    HBond acceptors 45
    Atoms 264
    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 canSAR1143302.