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canSAR353599
FEATURES
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NAMES
    SMILES
    C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@H](NN[C@H]2Cc3ccc(O)cc3NC2=O)CC(=O)NC(C(=O)NN[C@@H](Cc2ccc(O)cc2)C(=O)C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC1=O
    InChI
    InChI=1S/C71H84N20O17/c1-37-60(97)81-51(29-40-16-9-4-10-17-40)66(103)87-59(69(106)91-88-48(58(96)70(107)108)26-41-19-22-44(92)23-20-41)86-57(95)34-55(90-89-54-30-42-21-24-45(93)32-47(42)80-67(54)104)68(105)84-52(31-43-35-75-36-77-43)65(102)79-46(18-11-25-76-71(73)74)61(98)82-49(27-38-12-5-2-6-13-38)63(100)83-50(28-39-14-7-3-8-15-39)64(101)85-53(33-56(72)94)62(99)78-37/h2-10,12-17,19-24,32,35-37,46,48-55,59,88-90,92-93H,11,18,25-31,33-34H2,1H3,(H2,72,94)(H,75,77)(H,78,99)(H,79,102)(H,80,104)(H,81,97)(H,82,98)(H,83,100)(H,84,105)(H,85,101)(H,86,95)(H,87,103)(H,91,106)(H,107,108)(H4,73,74,76)/t37-,46-,48-,49+,50-,51+,52+,53+,54-,55+,59?/m0/s1
    MOLECULAR FORMULA
    C71H84N20O17
    CROSS REFERENCES
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    canSAR353599

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1488.63
    AlogP -4.69
    HBond donors 24
    HBond acceptors 37
    Atoms 192
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR353599.