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canSAR1145466
FEATURES
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NAMES
    SMILES
    CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC1=O
    InChI
    InChI=1S/C82H142N26O15/c1-47(2)43-61-74(117)100-56(27-11-16-36-85)70(113)96-54(25-9-14-34-83)68(111)95-49(5)67(110)102-60(29-13-18-38-87)79(122)108-42-22-33-65(108)80(123)107-41-21-32-64(107)77(120)106-66(50(6)109)78(121)105-63(45-51-46-94-53-24-8-7-23-52(51)53)76(119)104-62(44-48(3)4)75(118)101-57(28-12-17-37-86)71(114)97-55(26-10-15-35-84)69(112)98-58(30-19-39-92-81(88)89)72(115)99-59(73(116)103-61)31-20-40-93-82(90)91/h7-8,23-24,46-50,54-66,94,109H,9-22,25-45,83-87H2,1-6H3,(H,95,111)(H,96,113)(H,97,114)(H,98,112)(H,99,115)(H,100,117)(H,101,118)(H,102,110)(H,103,116)(H,104,119)(H,105,121)(H,106,120)(H4,88,89,92)(H4,90,91,93)/t49-,50+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65+,66-/m0/s1
    MOLECULAR FORMULA
    C82H142N26O15
    CROSS REFERENCES
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    canSAR1145466

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1731.11
    AlogP -3.81
    HBond donors 32
    HBond acceptors 41
    Atoms 265
    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 canSAR1145466.