General Information of the Compound
| Compound ID |
CP0234168
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| Compound Name |
4-(1-Benzyl-3-pyridin-2-yl-1H-pyrazol-4-yl)-quinoline
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| Structure |
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| Formula |
C24H18N4
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| Molecular Weight |
362.436
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| Canonical SMILES |
C(c1ccccc1)n1cc(c(n1)-c1ccccn1)-c1ccnc2ccccc12
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| InChI |
InChI=1S/C24H18N4/c1-2-8-18(9-3-1)16-28-17-21(24(27-28)23-12-6-7-14-25-23)19-13-15-26-22-11-5-4-10-20(19)22/h1-15,17H,16H2
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| InChIKey |
OUGRNXPVTYJQNC-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