General Information of the Compound
| Compound ID |
CP0556638
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| Compound Name |
2-[[3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol
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| Structure |
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| Formula |
C21H22ClN3O
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| Molecular Weight |
367.88
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| Canonical SMILES |
Oc1ccccc1CN1CCCC(C1)c1n[nH]cc1-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H22ClN3O/c22-18-9-7-15(8-10-18)19-12-23-24-21(19)17-5-3-11-25(14-17)13-16-4-1-2-6-20(16)26/h1-2,4,6-10,12,17,26H,3,5,11,13-14H2,(H,23,24)
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| InChIKey |
LUOHCYIGBGDRMZ-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