General Information of the Compound
| Compound ID |
CP0946987
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| Compound Name |
N-(1-(4-acetylpiperazin-1-yl)propan-2-yl)-1-methyl-3-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
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| Structure |
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| Formula |
C22H27N5O2S
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| Molecular Weight |
425.558
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| Canonical SMILES |
CC(=O)N1CCN(CC(C)NC(=O)c2cc3c(-c4ccccc4)nn(C)c3s2)CC1
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| InChI |
InChI=1S/C22H27N5O2S/c1-15(14-26-9-11-27(12-10-26)16(2)28)23-21(29)19-13-18-20(17-7-5-4-6-8-17)24-25(3)22(18)30-19/h4-8,13,15H,9-12,14H2,1-3H3,(H,23,29)
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| InChIKey |
WLMBSKSEPQCRJV-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