General Information of the Compound
| Compound ID |
CP0272394
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| Compound Name |
1-(4-fluorophenyl)-4-({3-[3-(piperidin-1-yl)prop-1-yn-1-yl]phenyl}carbonyl)-1H-pyrazol-5-amine
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| Structure |
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| Formula |
C24H23FN4O
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| Molecular Weight |
402.473
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| Canonical SMILES |
Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)C#CCN1CCCCC1
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| InChI |
InChI=1S/C24H23FN4O/c25-20-9-11-21(12-10-20)29-24(26)22(17-27-29)23(30)19-8-4-6-18(16-19)7-5-15-28-13-2-1-3-14-28/h4,6,8-12,16-17H,1-3,13-15,26H2
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| InChIKey |
IKBMSEBMUSHLHW-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