General Information of the Compound
| Compound ID |
CP0388345
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| Compound Name |
(1-methylcyclopropyl) 4-[5-cyano-4-[[4-(tetrazol-1-yl)phenoxy]methyl]pyrazol-1-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C22H24N8O3
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| Molecular Weight |
448.487
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| Canonical SMILES |
CC1(CC1)OC(=O)N1CCC(CC1)n1ncc(COc2ccc(cc2)-n2cnnn2)c1C#N
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| InChI |
InChI=1S/C22H24N8O3/c1-22(8-9-22)33-21(31)28-10-6-18(7-11-28)30-20(12-23)16(13-25-30)14-32-19-4-2-17(3-5-19)29-15-24-26-27-29/h2-5,13,15,18H,6-11,14H2,1H3
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| InChIKey |
SDGHYCIXEZKBLQ-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