General Information of the Compound
| Compound ID |
CP0563481
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| Compound Name |
[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone
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| Structure |
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| Formula |
C19H19ClN4O2
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| Molecular Weight |
370.84
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| Canonical SMILES |
Clc1ccc(CC2CCN(CC2)C(=O)c2cc(on2)-c2cn[nH]c2)cc1
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| InChI |
InChI=1S/C19H19ClN4O2/c20-16-3-1-13(2-4-16)9-14-5-7-24(8-6-14)19(25)17-10-18(26-23-17)15-11-21-22-12-15/h1-4,10-12,14H,5-9H2,(H,21,22)
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| InChIKey |
BDRPTPAJFFFIHV-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