General Information of the Compound
| Compound ID |
CP0469229
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| Compound Name |
19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-hydroxy-3-methylazetidine-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 |
C33H40N4O6S
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| Molecular Weight |
620.772
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| Canonical SMILES |
COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1CC(C)(O)C1)C(=O)NS(=O)(=O)N(C)C
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| InChI |
InChI=1S/C33H40N4O6S/c1-32(40)17-36(18-32)31(39)33-16-26(33)25-15-22(43-4)11-13-23(25)29-28(20-8-6-5-7-9-20)24-12-10-21(14-27(24)37(29)19-33)30(38)34-44(41,42)35(2)3/h10-15,20,26,40H,5-9,16-19H2,1-4H3,(H,34,38)
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| InChIKey |
YILVFCHRQFKSES-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