canSAR740002
FEATURES
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NAMES
    SMILES
    CC(C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](N)CSSC[C@@H](C(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)C(Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC1=O
    InChI
    InChI=1S/C56H81N21O14S2/c1-26(2)44-54(90)71-35(11-12-41(58)78)50(86)74-39(17-43(80)81)53(89)72-36(14-28-18-65-33-9-6-5-8-31(28)33)48(84)66-21-42(79)69-37(15-29-19-62-24-67-29)51(87)73-38(16-30-20-63-25-68-30)52(88)70-34(10-7-13-64-56(60)61)49(85)75-40(46(59)82)23-93-92-22-32(57)47(83)76-45(27(3)4)55(91)77-44/h5-6,8-9,18-20,24-27,32,34-40,44-45,65H,7,10-17,21-23,57H2,1-4H3,(H2,58,78)(H2,59,82)(H,62,67)(H,63,68)(H,66,84)(H,69,79)(H,70,88)(H,71,90)(H,72,89)(H,73,87)(H,74,86)(H,75,85)(H,76,83)(H,77,91)(H,80,81)(H4,60,61,64)/t32-,34?,35-,36-,37?,38-,39-,40-,44-,45-/m0/s1
    MOLECULAR FORMULA
    C56H81N21O14S2
    CROSS REFERENCES
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    canSAR740002
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1335.57
    AlogP-5.36
    HBond donors24
    HBond acceptors35
    Atoms174
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR740002.