canSAR1711798
FEATURES
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NAMES
    SMILES
    COC(=O)[C@@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)OCc1ccccc1)C(C)C)C(C)C
    InChI
    InChI=1S/C72H111N17O18S/c1-42(2)38-52(62(95)84-51(32-37-108-8)69(102)105-7)80-57(92)39-79-65(98)58(43(3)4)87-66(99)59(44(5)6)86-61(94)48(29-31-56(74)91)81-60(93)47(28-30-55(73)90)82-63(96)53-26-18-35-88(53)67(100)49(24-15-16-33-78-71(103)106-40-45-20-11-9-12-21-45)83-64(97)54-27-19-36-89(54)68(101)50(25-17-34-77-70(75)76)85-72(104)107-41-46-22-13-10-14-23-46/h9-14,20-23,42-44,47-54,58-59H,15-19,24-41H2,1-8H3,(H2,73,90)(H2,74,91)(H,78,103)(H,79,98)(H,80,92)(H,81,93)(H,82,96)(H,83,97)(H,84,95)(H,85,104)(H,86,94)(H,87,99)(H4,75,76,77)/t47-,48-,49-,50-,51+,52-,53?,54-,58-,59+/m0/s1
    MOLECULAR FORMULA
    C72H111N17O18S
    CROSS REFERENCES
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    canSAR1711798
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1533.80
    AlogP-0.26
    HBond donors18
    HBond acceptors35
    Atoms219
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1711798.