General Information of the Compound
| Compound ID |
CP0941504
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| Compound Name |
(3-(1H-tetrazol-1-yl)phenyl)(5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)methanone
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| Structure |
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| Formula |
C22H17N7O2
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| Molecular Weight |
411.425
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| Canonical SMILES |
O=C(c1cccc(-n2cnnn2)c1)N1N=C(c2cccnc2)CC1c1ccccc1O
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| InChI |
InChI=1S/C22H17N7O2/c30-21-9-2-1-8-18(21)20-12-19(16-6-4-10-23-13-16)25-29(20)22(31)15-5-3-7-17(11-15)28-14-24-26-27-28/h1-11,13-14,20,30H,12H2
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| InChIKey |
DPQUNZAIATXZMU-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