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canSAR777788
FEATURES
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NAMES
    SMILES
    CC(=O)NC1C(O[C@@H]2c3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C[C@H]3NC(=O)[C@H](N)c5ccc(O)c(c5)Oc5cc(O)cc(c5)[C@H](NC3=O)C(=O)N[C@H]4C(=O)N[C@H]3C(=O)N[C@@H]2C(=O)N[C@H](C(=O)NCCN2CCCC2)c2cc(O)cc(O)c2-c2cc3ccc2O)OC(CO)C(O)C1O
    InChI
    InChI=1S/C72H70Cl2N10O22/c1-29(86)77-59-63(94)62(93)52(28-85)105-72(59)106-64-33-7-11-48(42(74)21-33)104-51-24-35-23-50(61(51)92)103-47-10-4-30(16-41(47)73)17-43-65(95)79-56(34-18-36(87)25-38(19-34)102-49-22-31(5-9-45(49)90)54(75)66(96)78-43)69(99)81-57(35)70(100)80-55-32-6-8-44(89)39(20-32)53-40(26-37(88)27-46(53)91)58(82-71(101)60(64)83-68(55)98)67(97)76-12-15-84-13-2-3-14-84/h4-11,16,18-27,43,52,54-60,62-64,72,85,87-94H,2-3,12-15,17,28,75H2,1H3,(H,76,97)(H,77,86)(H,78,96)(H,79,95)(H,80,100)(H,81,99)(H,82,101)(H,83,98)/t43-,52?,54-,55-,56+,57-,58+,59?,60+,62?,63?,64-,72?/m1/s1
    MOLECULAR FORMULA
    C72H70Cl2N10O22
    CROSS REFERENCES
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    canSAR777788

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1496.40
    AlogP 3.08
    HBond donors 19
    HBond acceptors 32
    Atoms 176
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR777788.