General Information of the Compound
| Compound ID |
CP0341332
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| Compound Name |
N-[2-oxo-5-(4-propan-2-ylpiperazin-1-yl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide
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| Structure |
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| Formula |
C22H26N4O3S
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| Molecular Weight |
426.542
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| Canonical SMILES |
CC(C)N1CCN(CC1)c1cnc2ccc3ccc(NS(C)(=O)=O)cc3c(=O)c2c1
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| InChI |
InChI=1S/C22H26N4O3S/c1-15(2)25-8-10-26(11-9-25)18-13-20-21(23-14-18)7-5-16-4-6-17(24-30(3,28)29)12-19(16)22(20)27/h4-7,12-15,24H,8-11H2,1-3H3
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| InChIKey |
SZYARCOFJFUANJ-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