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canSAR500609
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)O
    InChI
    InChI=1S/C66H107N21O13/c1-5-39(4)53(61(97)81-46(21-13-31-77-66(73)74)62(98)87-33-15-23-51(87)60(96)82-47(63(99)100)18-9-10-28-67)85-56(92)45(20-12-30-76-65(71)72)79-55(91)44(19-11-29-75-64(69)70)80-57(93)48(34-38(2)3)83-58(94)49(36-40-16-7-6-8-17-40)84-59(95)50-22-14-32-86(50)52(89)37-78-54(90)43(68)35-41-24-26-42(88)27-25-41/h6-8,16-17,24-27,38-39,43-51,53,88H,5,9-15,18-23,28-37,67-68H2,1-4H3,(H,78,90)(H,79,91)(H,80,93)(H,81,97)(H,82,96)(H,83,94)(H,84,95)(H,85,92)(H,99,100)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t39-,43-,44-,45-,46-,47-,48-,49-,50?,51+,53-/m0/s1
    MOLECULAR FORMULA
    C66H107N21O13
    CROSS REFERENCES
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    canSAR500609

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1401.84
    AlogP -3.54
    HBond donors 26
    HBond acceptors 34
    Atoms 207
    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 canSAR500609.