canSAR824041
FEATURES
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NAMES
    SMILES
    CC(C)C[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O
    InChI
    InChI=1S/C80H113N21O21S2/c1-40(2)30-55(71(113)100-60(38-123)75(117)90-42(4)66(108)91-43(5)79(121)122)94-73(115)57(33-46-36-87-52-18-9-7-15-49(46)52)95-69(111)53(19-12-28-85-80(83)84)92-72(114)56(32-45-35-86-51-17-8-6-14-48(45)51)96-70(112)54(25-26-64(104)105)93-77(119)62-20-13-29-101(62)78(120)59(31-44-21-23-47(102)24-22-44)98-74(116)58(34-65(106)107)97-76(118)61(39-124)99-67(109)41(3)89-63(103)37-88-68(110)50(82)16-10-11-27-81/h6-9,14-15,17-18,21-24,35-36,40-43,50,53-62,86-87,102,123-124H,10-13,16,19-20,25-34,37-39,81-82H2,1-5H3,(H,88,110)(H,89,103)(H,90,117)(H,91,108)(H,92,114)(H,93,119)(H,94,115)(H,95,111)(H,96,112)(H,97,118)(H,98,116)(H,99,109)(H,100,113)(H,104,105)(H,106,107)(H,121,122)(H4,83,84,85)/t41-,42-,43-,50-,53-,54-,55-,56-,57-,58-,59-,60+,61+,62-/m1/s1
    MOLECULAR FORMULA
    C80H113N21O21S2
    CROSS REFERENCES
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    canSAR824041
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1767.79
    AlogP-3.58
    HBond donors27
    HBond acceptors42
    Atoms237
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824041.