General Information of the Compound
| Compound ID |
CP0547373
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| Compound Name |
19-cyclohexyl-10-[4-(dimethylcarbamoyl)piperazine-1-carbonyl]-N-(dimethylsulfamoyl)-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 |
C36H46N6O6S
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| Molecular Weight |
690.867
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| Canonical SMILES |
COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1CCN(CC1)C(=O)N(C)C)C(=O)NS(=O)(=O)N(C)C
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| InChI |
InChI=1S/C36H46N6O6S/c1-38(2)35(45)41-17-15-40(16-18-41)34(44)36-21-29(36)28-20-25(48-5)12-14-26(28)32-31(23-9-7-6-8-10-23)27-13-11-24(19-30(27)42(32)22-36)33(43)37-49(46,47)39(3)4/h11-14,19-20,23,29H,6-10,15-18,21-22H2,1-5H3,(H,37,43)
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| InChIKey |
AQLUFAYJVJVBOX-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