canSAR820638
FEATURES
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NAMES
    SMILES
    CCOC(=O)CN1CCN(CC(NC(=O)c2csc(-c3nc4c(cc3O)-c3nc(cs3)C(=O)N[C@@H]([C@@H](C)O)C(=O)N/C(=C(\C)OC)c3nc(cs3)C(=O)N[C@@H]3c5nc(cs5)C(=O)N[C@@H](COC(=O)c5c6c7c(cccc7n5O)COC(=O)[C@@H](O[C@H]5C[C@](C)(O)[C@H](N(C)C)[C@H](C)O5)[C@H]3OC6)c3nc-4cs3)n2)C(N)=O)CC1
    InChI
    InChI=1S/C69H76N16O20S5/c1-9-100-44(88)20-84-15-13-83(14-16-84)19-35(56(70)89)71-57(90)38-26-109-65(76-38)50-43(87)17-33-49(78-50)37-24-107-63(73-37)36-23-103-67(95)52-34-22-101-53(54(105-45-18-69(5,97)55(82(6)7)31(4)104-45)68(96)102-21-32-11-10-12-42(46(32)34)85(52)98)51(66-77-39(27-110-66)58(91)72-36)81-60(93)41-28-108-64(75-41)48(30(3)99-8)80-61(94)47(29(2)86)79-59(92)40-25-106-62(33)74-40/h10-12,17,24-29,31,35-36,45,47,51,53-55,86-87,97-98H,9,13-16,18-23H2,1-8H3,(H2,70,89)(H,71,90)(H,72,91)(H,79,92)(H,80,94)(H,81,93)/b48-30+/t29-,31+,35?,36+,45+,47+,51+,53+,54+,55-,69+/m1/s1
    MOLECULAR FORMULA
    C69H76N16O20S5
    CROSS REFERENCES
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    canSAR820638
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1608.40
    AlogP2.93
    HBond donors11
    HBond acceptors36
    Atoms186
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR820638.