General Information of the Compound
| Compound ID |
CP0400181
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| Compound Name |
3-[4-(1-phenylpyrazol-4-yl)quinolin-7-yl]oxypropan-1-ol
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| Structure |
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| Formula |
C21H19N3O2
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| Molecular Weight |
345.402
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| Canonical SMILES |
OCCCOc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1
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| InChI |
InChI=1S/C21H19N3O2/c25-11-4-12-26-18-7-8-20-19(9-10-22-21(20)13-18)16-14-23-24(15-16)17-5-2-1-3-6-17/h1-3,5-10,13-15,25H,4,11-12H2
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| InChIKey |
OHKJESZTLRXJBS-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