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canSAR54577
FEATURES
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NAMES
    SMILES
    C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=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](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/C64H123N33O15/c1-34(98)47(68)58(112)97-32-12-21-44(97)57(111)96-43(22-23-45(67)99)56(110)95-42(20-11-31-86-64(79)80)55(109)94-41(19-10-30-85-63(77)78)54(108)93-40(18-9-29-84-62(75)76)53(107)92-39(17-8-28-83-61(73)74)52(106)91-38(16-7-27-82-60(71)72)51(105)90-37(14-3-5-25-66)50(104)89-36(13-2-4-24-65)49(103)88-35(15-6-26-81-59(69)70)48(102)87-33-46(100)101/h34-44,47,98H,2-33,65-66,68H2,1H3,(H2,67,99)(H,87,102)(H,88,103)(H,89,104)(H,90,105)(H,91,106)(H,92,107)(H,93,108)(H,94,109)(H,95,110)(H,96,111)(H,100,101)(H4,69,70,81)(H4,71,72,82)(H4,73,74,83)(H4,75,76,84)(H4,77,78,85)(H4,79,80,86)/t34-,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,47+/m1/s1
    MOLECULAR FORMULA
    C64H123N33O15
    CROSS REFERENCES
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    canSAR54577

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1593.99
    AlogP -11.65
    HBond donors 44
    HBond acceptors 48
    Atoms 235
    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 canSAR54577.