canSAR2100361
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=O)CCCCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O
    InChI
    InChI=1S/C73H117N19O20S/c1-46(2)34-55(71(108)85-53(67(75)104)19-33-113-6)86-72(109)57(36-50-38-76-45-81-50)84-60(95)39-80-73(110)66(47(3)4)88-68(105)48(5)82-70(107)56(35-49-37-79-52-15-12-11-14-51(49)52)87-69(106)54(17-18-58(74)93)83-62(97)44-112-32-31-111-30-21-78-59(94)16-10-8-7-9-13-20-77-61(96)40-89-22-24-90(41-63(98)99)26-28-92(43-65(102)103)29-27-91(25-23-89)42-64(100)101/h11-12,14-15,37-38,45-48,53-57,66,79H,7-10,13,16-36,39-44H2,1-6H3,(H2,74,93)(H2,75,104)(H,76,81)(H,77,96)(H,78,94)(H,80,110)(H,82,107)(H,83,97)(H,84,95)(H,85,108)(H,86,109)(H,87,106)(H,88,105)(H,98,99)(H,100,101)(H,102,103)/t48-,53-,54-,55-,56-,57-,66-/m0/s1
    MOLECULAR FORMULA
    C73H117N19O20S
    CROSS REFERENCES
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    canSAR2100361
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1611.84
    AlogP-3.51
    HBond donors19
    HBond acceptors39
    Atoms230
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2100361.