General Information of the Compound
| Compound ID |
CP0424885
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| Compound Name |
N-(oxetan-3-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzamide
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| Formula |
C22H28N4O2
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| Molecular Weight |
380.492
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| Canonical SMILES |
O=C(N(CCCN1CCN(CC1)c1ccccn1)C1COC1)c1ccccc1
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| InChI |
InChI=1S/C22H28N4O2/c27-22(19-7-2-1-3-8-19)26(20-17-28-18-20)12-6-11-24-13-15-25(16-14-24)21-9-4-5-10-23-21/h1-5,7-10,20H,6,11-18H2
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| InChIKey |
HQXJMXXQICBXSS-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