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canSAR67339
FEATURES
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NAMES
    SMILES
    CCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O
    InChI
    InChI=1S/C64H122N30O15/c1-3-4-15-37(86-53(103)43(22-13-32-83-64(77)78)92-57(107)44(24-25-46(67)96)93-58(108)45-23-14-33-94(45)59(109)48(68)35(2)95)50(100)89-41(20-11-30-81-62(73)74)55(105)91-42(21-12-31-82-63(75)76)56(106)90-40(19-10-29-80-61(71)72)54(104)88-39(17-6-8-27-66)52(102)87-38(16-5-7-26-65)51(101)85-36(18-9-28-79-60(69)70)49(99)84-34-47(97)98/h35-45,48,95H,3-34,65-66,68H2,1-2H3,(H2,67,96)(H,84,99)(H,85,101)(H,86,103)(H,87,102)(H,88,104)(H,89,100)(H,90,106)(H,91,105)(H,92,107)(H,93,108)(H,97,98)(H4,69,70,79)(H4,71,72,80)(H4,73,74,81)(H4,75,76,82)(H4,77,78,83)/t35-,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,48+/m1/s1
    MOLECULAR FORMULA
    C64H122N30O15
    CROSS REFERENCES
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    canSAR67339

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1550.97
    AlogP -9.72
    HBond donors 40
    HBond acceptors 45
    Atoms 231
    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 canSAR67339.