General Information of the Compound
| Compound ID |
CP0553620
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| Compound Name |
19-cyclohexyl-N-(dimethylsulfamoyl)-10-[3-(4-fluorophenyl)-3-hydroxyazetidine-1-carbonyl]-5-methoxy-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 |
C38H41FN4O6S
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| Molecular Weight |
700.833
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| Canonical SMILES |
COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1CC(O)(C1)c1ccc(F)cc1)C(=O)NS(=O)(=O)N(C)C
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| InChI |
InChI=1S/C38H41FN4O6S/c1-41(2)50(47,48)40-35(44)24-9-15-29-32(17-24)43-20-37(36(45)42-21-38(46,22-42)25-10-12-26(39)13-11-25)19-31(37)30-18-27(49-3)14-16-28(30)34(43)33(29)23-7-5-4-6-8-23/h9-18,23,31,46H,4-8,19-22H2,1-3H3,(H,40,44)
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| InChIKey |
DZGPNEUZETUOMQ-UHFFFAOYSA-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