General Information of the Compound
| Compound ID |
CP0386124
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| Compound Name |
propan-2-yl 4-[4-[[(2-methyl-6-methylsulfonylpyridin-3-yl)amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C20H29N5O4S
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| Molecular Weight |
435.55
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| Canonical SMILES |
CC(C)OC(=O)N1CCC(CC1)n1cc(CNc2ccc(nc2C)S(C)(=O)=O)cn1
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| InChI |
InChI=1S/C20H29N5O4S/c1-14(2)29-20(26)24-9-7-17(8-10-24)25-13-16(12-22-25)11-21-18-5-6-19(23-15(18)3)30(4,27)28/h5-6,12-14,17,21H,7-11H2,1-4H3
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| InChIKey |
QUWCIKHGEJGREN-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