canSAR824106
FEATURES
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NAMES
    SMILES
    C[C@@H](O)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC1=O
    InChI
    InChI=1S/C67H90N14O16S2/c1-37(83)55-65(94)77-51(31-41-23-25-43(85)26-24-41)63(92)81-56(38(2)84)66(95)78-53(34-82)64(93)79-54(67(96)97)36-99-98-35-45(70)57(86)72-47(21-11-13-27-68)58(87)74-49(29-39-15-5-3-6-16-39)60(89)75-50(30-40-17-7-4-8-18-40)61(90)76-52(32-42-33-71-46-20-10-9-19-44(42)46)62(91)73-48(59(88)80-55)22-12-14-28-69/h3-10,15-20,23-26,33,37-38,45,47-56,71,82-85H,11-14,21-22,27-32,34-36,68-70H2,1-2H3,(H,72,86)(H,73,91)(H,74,87)(H,75,89)(H,76,90)(H,77,94)(H,78,95)(H,79,93)(H,80,88)(H,81,92)(H,96,97)/t37-,38-,45-,47-,48+,49-,50+,51+,52+,53+,54+,55-,56-/m1/s1
    MOLECULAR FORMULA
    C67H90N14O16S2
    CROSS REFERENCES
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    canSAR824106
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1410.61
    AlogP-2.19
    HBond donors22
    HBond acceptors30
    Atoms189
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824106.