General Information of the Compound
| Compound ID |
CP0553621
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| Compound Name |
(8S,10R)-19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[(2R)-2-(methoxymethyl)morpholine-4-carbonyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
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| Structure |
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| Formula |
C35H44N4O7S
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| Molecular Weight |
664.825
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| Canonical SMILES |
COC[C@H]1CN(CCO1)C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(cc3n1C2)C(=O)NS(=O)(=O)N(C)C
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| InChI |
InChI=1S/C35H44N4O7S/c1-37(2)47(42,43)36-33(40)23-10-12-27-30(16-23)39-21-35(34(41)38-14-15-46-25(19-38)20-44-3)18-29(35)28-17-24(45-4)11-13-26(28)32(39)31(27)22-8-6-5-7-9-22/h10-13,16-17,22,25,29H,5-9,14-15,18-21H2,1-4H3,(H,36,40)/t25-,29+,35+/m1/s1
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| InChIKey |
RFOPMFZIQCADIJ-RSWONJOASA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound