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canSAR1145348
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(NC(=N)N)cc1)NC(=O)[C@H](Cc1ccc(NC(=N)N)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O
    InChI
    InChI=1S/C71H104N18O19/c1-5-42(4)61(66(104)83-53(69(107)108)32-41(2)3)84-63(101)51(34-45-17-23-48(90)24-18-45)81-65(103)55-12-9-27-89(55)68(106)52(35-44-15-21-47(22-16-44)78-71(75)76)82-62(100)50(33-43-13-19-46(20-14-43)77-70(73)74)80-64(102)54-11-8-26-88(54)67(105)49(10-6-7-25-72)79-56(91)36-86(38-58(94)95)30-28-85(37-57(92)93)29-31-87(39-59(96)97)40-60(98)99/h13-24,41-42,49-55,61,90H,5-12,25-40,72H2,1-4H3,(H,79,91)(H,80,102)(H,81,103)(H,82,100)(H,83,104)(H,84,101)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,107,108)(H4,73,74,77)(H4,75,76,78)/t42-,49+,50-,51-,52-,53-,54-,55-,61-/m0/s1
    MOLECULAR FORMULA
    C71H104N18O19
    CROSS REFERENCES
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    canSAR1145348

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1512.77
    AlogP -1.53
    HBond donors 22
    HBond acceptors 37
    Atoms 212
    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 canSAR1145348.