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canSAR832013
FEATURES
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NAMES
    SMILES
    CNCCCN(C)C(=O)[C@H]1NC(=O)[C@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H]4NC(=O)[C@@H](Cc5ccc(c(Cl)c5)Oc5cc3cc(c5OC3OC(CO)C(O)C(O)C3NC(=O)CCCCCCC(C)C)Oc3ccc(cc3Cl)[C@H]2OC2OC(CO)C(O)C(O)C2NC(C)=O)NC(=O)[C@H](N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(OC3OC(CO)C(O)C(O)C3O)cc(O)cc21
    InChI
    InChI=1S/C93H109Cl2N11O32/c1-38(2)11-8-6-7-9-12-65(115)100-73-79(120)76(117)63(36-108)135-92(73)138-83-60-30-45-31-61(83)132-57-20-16-43(28-52(57)95)82(137-91-72(98-39(3)110)78(119)75(116)62(35-107)134-91)74-89(128)104-71(90(129)106(5)22-10-21-97-4)50-33-47(112)34-59(133-93-81(122)80(121)77(118)64(37-109)136-93)66(50)49-27-42(15-17-54(49)113)68(86(125)105-74)102-88(127)70(45)103-87(126)69-44-25-46(111)32-48(26-44)130-58-29-41(14-18-55(58)114)67(96)85(124)99-53(84(123)101-69)24-40-13-19-56(131-60)51(94)23-40/h13-20,23,25-34,38,53,62-64,67-82,91-93,97,107-109,111-114,116-122H,6-12,21-22,24,35-37,96H2,1-5H3,(H,98,110)(H,99,124)(H,100,115)(H,101,123)(H,102,127)(H,103,126)(H,104,128)(H,105,125)/t53-,62?,63?,64?,67-,68-,69+,70-,71-,72?,73?,74+,75?,76?,77?,78?,79?,80?,81?,82-,91?,92?,93?/m1/s1
    MOLECULAR FORMULA
    C93H109Cl2N11O32
    CROSS REFERENCES
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    canSAR832013

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1961.66
    AlogP 1.00
    HBond donors 25
    HBond acceptors 43
    Atoms 247
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR832013.