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canSAR828159
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](N)CCSC)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCN=C(N)N)C(N)=O)NC(=O)[C@H](CO)NC1=O
    InChI
    InChI=1S/C74H116N26O18S4/c1-5-39(2)58-71(118)97-53(35-101)68(115)99-55(70(117)94-50(31-41-17-19-43(102)20-18-41)65(112)90-45(59(76)106)21-27-87-74(81)82)37-122-121-36-54(98-60(107)44(75)22-28-119-3)69(116)95-51(32-42-34-83-38-88-42)66(113)93-49(30-40-12-7-6-8-13-40)61(108)84-24-11-16-56(103)89-46(14-9-25-85-72(77)78)62(109)92-48(23-29-120-4)63(110)96-52(33-57(104)105)67(114)91-47(64(111)100-58)15-10-26-86-73(79)80/h6-8,12-13,17-20,34,38-39,44-55,58,101-102H,5,9-11,14-16,21-33,35-37,75H2,1-4H3,(H2,76,106)(H,83,88)(H,84,108)(H,89,103)(H,90,112)(H,91,114)(H,92,109)(H,93,113)(H,94,117)(H,95,116)(H,96,110)(H,97,118)(H,98,107)(H,99,115)(H,100,111)(H,104,105)(H4,77,78,85)(H4,79,80,86)(H4,81,82,87)/t39-,44-,45-,46+,47-,48-,49+,50-,51-,52+,53-,54-,55-,58+/m0/s1
    MOLECULAR FORMULA
    C74H116N26O18S4
    CROSS REFERENCES
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    canSAR828159

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1784.78
    AlogP -7.15
    HBond donors 33
    HBond acceptors 44
    Atoms 238
    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 canSAR828159.