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canSAR1122822
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@@H](CCCCNc1n[nH]c(N)n1)NC(=O)[C@H](CCCCNc1n[nH]c(N)n1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
    InChI
    InChI=1S/C64H99N25O12/c1-34(2)27-45(55(96)78-44(19-10-11-23-69-35(3)4)60(101)89-26-14-20-49(89)59(100)74-36(5)51(65)92)79-53(94)42(18-9-13-25-71-64-84-62(67)86-88-64)76-52(93)41(17-8-12-24-70-63-83-61(66)85-87-63)77-58(99)48(32-90)82-56(97)46(28-37-30-72-40-16-7-6-15-39(37)40)80-57(98)47(29-38-31-68-33-73-38)81-54(95)43-21-22-50(91)75-43/h6-7,15-16,30-31,33-36,41-49,69,72,90H,8-14,17-29,32H2,1-5H3,(H2,65,92)(H,68,73)(H,74,100)(H,75,91)(H,76,93)(H,77,99)(H,78,96)(H,79,94)(H,80,98)(H,81,95)(H,82,97)(H4,66,70,83,85,87)(H4,67,71,84,86,88)/t36-,41+,42-,43+,44+,45+,46+,47+,48+,49+/m1/s1
    MOLECULAR FORMULA
    C64H99N25O12
    CROSS REFERENCES
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    canSAR1122822

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1409.79
    AlogP -2.50
    HBond donors 23
    HBond acceptors 37
    Atoms 200
    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 canSAR1122822.