canSAR1417393
FEATURES
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NAMES
    SMILES
    CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSCC(=O)NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
    InChI
    InChI=1S/C46H80N11O32P3S/c1-46(2,13-80-92(77,78)89-91(75,76)79-11-21-36(88-90(72,73)74)33(69)42(81-21)57-15-56-25-39(50)54-14-55-40(25)57)38(70)41(71)52-4-3-22(60)51-5-6-93-12-23(61)53-8-18-26(62)29(65)24(49)43(82-18)85-34-16(47)7-17(48)35(32(34)68)86-45-37(30(66)27(63)19(9-58)84-45)87-44-31(67)28(64)20(10-59)83-44/h14-21,24,26-38,42-45,58-59,62-70H,3-13,47-49H2,1-2H3,(H,51,60)(H,52,71)(H,53,61)(H,75,76)(H,77,78)(H2,50,54,55)(H2,72,73,74)/p-4/t16-,17+,18+,19+,20+,21+,24+,26+,27+,28+,29+,30-,31+,32-,33+,34+,35-,36+,37+,38-,42+,43+,44-,45+/m0/s1
    MOLECULAR FORMULA
    C46H76N11O32P3S-4
    CROSS REFERENCES
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    canSAR1417393
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1419.36
    AlogP-13.05
    HBond donors22
    HBond acceptors43
    Atoms169
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417393.