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canSAR1864205
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CSSC[C@H](C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC1=O
    InChI
    InChI=1S/C60H87N19O16S2/c1-7-30(6)46(61)56(91)76-42-24-96-97-25-43(59(94)95)77-49(84)36(13-10-16-66-60(62)63)70-52(87)39(18-32-22-64-26-68-32)74-53(88)40(19-33-23-65-27-69-33)73-51(86)38(17-31-21-67-35-12-9-8-11-34(31)35)72-54(89)41(20-45(82)83)75-50(85)37(14-15-44(80)81)71-57(92)47(28(2)3)79-58(93)48(29(4)5)78-55(42)90/h8-9,11-12,21-23,26-30,36-43,46-48,67H,7,10,13-20,24-25,61H2,1-6H3,(H,64,68)(H,65,69)(H,70,87)(H,71,92)(H,72,89)(H,73,86)(H,74,88)(H,75,85)(H,76,91)(H,77,84)(H,78,90)(H,79,93)(H,80,81)(H,82,83)(H,94,95)(H4,62,63,66)/t30-,36-,37-,38-,39?,40-,41-,42+,43+,46-,47-,48-/m0/s1
    MOLECULAR FORMULA
    C60H87N19O16S2
    CROSS REFERENCES
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    canSAR1864205

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1393.60
    AlogP -2.74
    HBond donors 22
    HBond acceptors 35
    Atoms 184
    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 canSAR1864205.