General Information of the Compound
| Compound ID |
CP0488454
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| Compound Name |
1-[4-[2-[4-(1-phenylpyrazol-4-yl)quinolin-7-yl]oxyethyl]piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C26H27N5O2
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| Molecular Weight |
441.535
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| Canonical SMILES |
CC(=O)N1CCN(CCOc2ccc3c(ccnc3c2)-c2cnn(c2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C26H27N5O2/c1-20(32)30-13-11-29(12-14-30)15-16-33-23-7-8-25-24(9-10-27-26(25)17-23)21-18-28-31(19-21)22-5-3-2-4-6-22/h2-10,17-19H,11-16H2,1H3
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| InChIKey |
FVERYMXRPUFAJS-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