General Information of the Compound
| Compound ID |
CP0166804
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| Compound Name |
1-(4-fluorophenyl)-4-({3-[2-(piperidin-1-yl)ethoxy]phenyl}carbonyl)-1H-pyrazol-5-amine
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| Structure |
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| Formula |
C23H25FN4O2
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| Molecular Weight |
408.477
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| Canonical SMILES |
Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OCCN2CCCCC2)c1
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| InChI |
InChI=1S/C23H25FN4O2/c24-18-7-9-19(10-8-18)28-23(25)21(16-26-28)22(29)17-5-4-6-20(15-17)30-14-13-27-11-2-1-3-12-27/h4-10,15-16H,1-3,11-14,25H2
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| InChIKey |
DKDBPXXMGPNROW-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