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canSAR467171
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O
    InChI
    InChI=1S/C63H91N21O10/c1-3-36(2)52(84-60(93)48(29-38-18-8-5-9-19-38)81-58(91)49(30-39-33-75-43-22-11-10-20-41(39)43)80-54(87)42(65)21-14-26-73-62(68)69)61(94)83-47(28-37-16-6-4-7-17-37)57(90)82-50(31-40-34-72-35-76-40)59(92)78-44(23-12-13-25-64)55(88)77-45(24-15-27-74-63(70)71)56(89)79-46(53(67)86)32-51(66)85/h4-11,16-20,22,33-36,42,44-50,52,75H,3,12-15,21,23-32,64-65H2,1-2H3,(H2,66,85)(H2,67,86)(H,72,76)(H,77,88)(H,78,92)(H,79,89)(H,80,87)(H,81,91)(H,82,90)(H,83,94)(H,84,93)(H4,68,69,73)(H4,70,71,74)/t36-,42-,44-,45-,46-,47+,48+,49+,50-,52-/m0/s1
    MOLECULAR FORMULA
    C63H91N21O10
    CROSS REFERENCES
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    canSAR467171

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1301.73
    AlogP -2.99
    HBond donors 26
    HBond acceptors 31
    Atoms 185
    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 canSAR467171.