canSAR823950
FEATURES
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NAMES
    SMILES
    C[C@H](N)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O
    InChI
    InChI=1S/C70H100N18O19S2/c1-36(73)58(94)76-32-55(93)78-52-34-108-109-35-53(70(106)107)86-66(102)51(33-89)85-69(105)57(39(4)91)88-65(101)48(28-41-19-9-6-10-20-41)84-68(104)56(38(3)90)87-61(97)46(24-14-16-26-72)79-63(99)49(29-42-31-75-44-22-12-11-21-43(42)44)81-59(95)37(2)77-62(98)47(27-40-17-7-5-8-18-40)82-64(100)50(30-54(74)92)83-60(96)45(80-67(52)103)23-13-15-25-71/h5-12,17-22,31,36-39,45-53,56-57,75,89-91H,13-16,23-30,32-35,71-73H2,1-4H3,(H2,74,92)(H,76,94)(H,77,98)(H,78,93)(H,79,99)(H,80,103)(H,81,95)(H,82,100)(H,83,96)(H,84,104)(H,85,105)(H,86,102)(H,87,97)(H,88,101)(H,106,107)/t36-,37-,38+,39+,45+,46-,47+,48-,49+,50-,51-,52+,53-,56+,57+/m0/s1
    MOLECULAR FORMULA
    C70H100N18O19S2
    CROSS REFERENCES
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    canSAR823950
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1560.69
    AlogP-6.14
    HBond donors26
    HBond acceptors37
    Atoms209
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823950.