canSAR2095705
FEATURES
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NAMES
    SMILES
    CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(cc3)Oc3cc2cc(c3OC2OC(CO)C(O)C(O)C2OC2CC(C)(N)C(O)C(C)O2)Oc2ccc(cc2)C1O
    InChI
    InChI=1S/C66H77N9O24/c1-25(2)16-36(69-5)58(86)74-49-51(81)27-6-11-32(12-7-27)95-40-18-30-19-41(55(40)99-65-56(54(84)53(83)42(24-76)97-65)98-44-23-66(4,68)57(85)26(3)94-44)96-33-13-8-28(9-14-33)52(82)50-63(91)73-48(64(92)93)35-20-31(77)21-39(79)45(35)34-17-29(10-15-38(34)78)46(60(88)75-50)72-61(89)47(30)71-59(87)37(22-43(67)80)70-62(49)90/h6-15,17-21,25-26,36-37,42,44,46-54,56-57,65,69,76-79,81-85H,16,22-24,68H2,1-5H3,(H2,67,80)(H,70,90)(H,71,87)(H,72,89)(H,73,91)(H,74,86)(H,75,88)(H,92,93)/t26-,36+,37-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1
    MOLECULAR FORMULA
    C66H77N9O24
    CROSS REFERENCES
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    canSAR2095705
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1379.51
    AlogP-1.20
    HBond donors21
    HBond acceptors33
    Atoms176
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095705.