General Information of the Compound
| Compound ID |
CP0443320
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| Compound Name |
19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(8-methyl-3,8-diazabicyclo[3.2.1]octane-3-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 |
C36H45N5O5S
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| Molecular Weight |
659.853
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| Canonical SMILES |
COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1CC2CCC(C1)N2C)C(=O)NS(=O)(=O)N(C)C
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| InChI |
InChI=1S/C36H45N5O5S/c1-38(2)47(44,45)37-34(42)23-10-14-28-31(16-23)41-21-36(35(43)40-19-24-11-12-25(20-40)39(24)3)18-30(36)29-17-26(46-4)13-15-27(29)33(41)32(28)22-8-6-5-7-9-22/h10,13-17,22,24-25,30H,5-9,11-12,18-21H2,1-4H3,(H,37,42)
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| InChIKey |
NGOKHMMSOIFOKA-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