General Information of the Compound
| Compound ID |
CP0467482
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| Compound Name |
19-cyclohexyl-10-(3-cyclopropyl-3-hydroxyazetidine-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 |
C35H42N4O6S
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| Molecular Weight |
646.81
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| Canonical SMILES |
COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1CC(O)(C1)C1CC1)C(=O)NS(=O)(=O)N(C)C
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| InChI |
InChI=1S/C35H42N4O6S/c1-37(2)46(43,44)36-32(40)22-9-13-26-29(15-22)39-18-34(33(41)38-19-35(42,20-38)23-10-11-23)17-28(34)27-16-24(45-3)12-14-25(27)31(39)30(26)21-7-5-4-6-8-21/h9,12-16,21,23,28,42H,4-8,10-11,17-20H2,1-3H3,(H,36,40)
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| InChIKey |
KBOWNPDZDFUNKA-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